2,4-Dihydroxy-N-(2-hydroxyethyl)benzamide
C₉H₁₁NO₄·197.190 g/mol·CID 90408
IUPAC: 2,4-dihydroxy-N-(2-hydroxyethyl)benzamide
Also known as: 24207-41-8, Benzamide, 2,4-dihydroxy-N-(2-hydroxyethyl)-, ERN2T4Z42W, NSC-379528, DTXSID9066968 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
197.190g/mol
Exact Mass
197.068808Da
Monoisotopic Mass
197.068808Da
XLogP
0.7
Polar Surface Area
89.8Ų
Complexity
197
Formal Charge
0
H-Bond Donors
4
H-Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
14
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 197.2 g/mol
MW ≤ 500
✓ 0.7
LogP ≤ 5
✓ 4
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C9H11NO4/c11-4-3-10-9(14)7-2-1-6(12)5-8(7)13/h1-2,5,11-13H,3-4H2,(H,10,14)
Isomers8 compounds with formula C₉H₁₁NO₄
(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
CID 6047 · 197.2 g/mol
2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
CID 836 · 197.2 g/mol
(2R)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid
CID 92222 · 197.2 g/mol
4-hydroxy-3,5-dimethoxybenzamide
CID 76522 · 197.2 g/mol
(2S)-2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate
CID 6971033 · 197.2 g/mol
2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate
CID 58663891 · 197.2 g/mol
(2S)-2-amino-2-[3-hydroxy-4-(hydroxymethyl)phenyl]acetic acid
CID 68908 · 197.2 g/mol
ethyl 4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 54676534 · 197.2 g/mol