Acrodontiolamide
C₁₁H₁₂Cl₂N₂O₅·323.130 g/mol·CID 177925
IUPAC: 2-(dichloromethoxymethyl)-3-hydroxy-3-(4-nitrophenyl)propanamide
Also known as: 2-(dichloromethoxymethyl)-3-hydroxy-3-(4-nitrophenyl)propanamide, 152053-09-3, 3-(4-nitrophenyl)-3-hydroxy-4-dichloromethoxyisobutanamide, RefChem:109413, DTXSID70934409 (+2 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
323.130g/mol
Exact Mass
322.012327Da
Monoisotopic Mass
322.012327Da
XLogP
1.1
Polar Surface Area
118.0Ų
Complexity
342
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
5
Rotatable Bonds
6
Heavy Atoms
20
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 323.1 g/mol
MW ≤ 500
✓ 1.1
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 5
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C11H12Cl2N2O5/c12-11(13)20-5-8(10(14)17)9(16)6-1-3-7(4-2-6)15(18)19/h1-4,8-9,11,16H,5H2,(H2,14,17)