1420043-66-8
C₁₁H₁₂Cl₂N₂O₅·328.160 g/mol·CID 117064930
IUPAC: 2,2-dichloro-N-[1-deuterio-1,3-dihydroxy-1-(2,3,5,6-tetradeuterio-4-nitrophenyl)propan-2-yl]acetamide
Also known as: D-threo-2,2-Dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-beta-(4-nitrophenyl-2,3,5,6-4)ethyl-beta-d)acetamide, D-threo-2,2-Dichloro-N-[beta-hydroxy-alpha-(hydroxymethyl)-beta-(4-nitrophenyl-2,3,5,6-4)ethyl-beta-d]acetamide, RefChem:585107, 995-926-3, DL-threo-Chloramphenicol-d5 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
328.160g/mol
Exact Mass
327.043711Da
Monoisotopic Mass
327.043711Da
XLogP
1.1
Polar Surface Area
115.0Ų
Complexity
342
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
5
Rotatable Bonds
5
Heavy Atoms
20
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 328.2 g/mol
MW ≤ 500
✓ 1.1
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 5
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H350May cause cancer
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/i1D,2D,3D,4D,9D
Isomers8 compounds with formula C₁₁H₁₂Cl₂N₂O₅
2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
CID 5959 · 323.1 g/mol
2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
CID 298 · 323.1 g/mol
2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
CID 92099 · 323.1 g/mol
2,2-dichloro-N-[(1R,2S)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
CID 146033 · 323.1 g/mol
2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(3-nitrophenyl)propan-2-yl]acetamide
CID 16212183 · 323.1 g/mol
2,2-dichloro-N-[(1S,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
CID 146034 · 323.1 g/mol
2-(dichloromethoxymethyl)-3-hydroxy-3-(4-nitrophenyl)propanamide
CID 177925 · 323.1 g/mol
2,2-dichloro-N-[(1R,2R)-1-deuterio-1,3-dihydroxy-1-(2,3,5,6-tetradeuterio-4-nitrophenyl)propan-2-yl]acetamide
CID 71312380 · 328.2 g/mol