N-acetyl-3-hydroxybenzamide

C9H9NO3 — CID 130011909

IUPACN-acetyl-3-hydroxybenzamide
SMILESCC(=O)NC(=O)c1cccc(O)c1
InChIInChI=1S/C9H9NO3/c1-6(11)10-9(13)7-3-2-4-8(12)5-7/h2-5,12H,1H3,(H,10,11,13)
InChIKeyXYJJTDPFPLOPCA-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.67
Rot. Bonds1

About N-acetyl-3-hydroxybenzamide

N-acetyl-3-hydroxybenzamide (PubChem CID 130011909) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is N-acetyl-3-hydroxybenzamide.

Molecular Properties

Compound NameN-acetyl-3-hydroxybenzamide
PubChem CID130011909
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC NameN-acetyl-3-hydroxybenzamide
SMILESCC(=O)NC(=O)c1cccc(O)c1
InChIInChI=1S/C9H9NO3/c1-6(11)10-9(13)7-3-2-4-8(12)5-7/h2-5,12H,1H3,(H,10,11,13)
InChIKeyXYJJTDPFPLOPCA-UHFFFAOYSA-N
XLogP0.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-acetyl-3-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid
CID 102524211
N-ethyl-3-hydroxybenzamide
CID 13175248
3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide
CID 3442645
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide
CID 780352
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol
CID 23766294
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
N-(3-ethylpentan-3-yl)-3-hydroxybenzamide
CID 65041341
(2R)-2-[(3-hydroxybenzoyl)amino]propanoic acid
CID 20848017
N-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
1-[(3-hydroxybenzoyl)amino]-3-(2-methylprop-2-enyl)thiourea
CID 8766861

Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-hydroxybenzamide?
The IUPAC name of N-acetyl-3-hydroxybenzamide (CID 130011909) is N-acetyl-3-hydroxybenzamide.
What is the SMILES notation for N-acetyl-3-hydroxybenzamide?
The canonical SMILES for N-acetyl-3-hydroxybenzamide is CC(=O)NC(=O)c1cccc(O)c1.
What is the InChIKey of N-acetyl-3-hydroxybenzamide?
The InChIKey is XYJJTDPFPLOPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-6(11)10-9(13)7-3-2-4-8(12)5-7/h2-5,12H,1H3,(H,10,11,13).
What are the key properties of N-acetyl-3-hydroxybenzamide?
N-acetyl-3-hydroxybenzamide has a molecular weight of 179.17 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-hydroxybenzamide is sourced from PubChem (CID 130011909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).