2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide

C15H15NO3 — CID 114343999

IUPAC2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cccc(O)c2O)c1
InChIInChI=1S/C15H15NO3/c1-10-4-2-5-11(8-10)9-16-15(19)12-6-3-7-13(17)14(12)18/h2-8,17-18H,9H2,1H3,(H,16,19)
InChIKeyBPHVFSNTQFMWDP-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.34
Rot. Bonds3

About 2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide

2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 114343999) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
PubChem CID114343999
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cccc(O)c2O)c1
InChIInChI=1S/C15H15NO3/c1-10-4-2-5-11(8-10)9-16-15(19)12-6-3-7-13(17)14(12)18/h2-8,17-18H,9H2,1H3,(H,16,19)
InChIKeyBPHVFSNTQFMWDP-UHFFFAOYSA-N
XLogP2.34
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide 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

2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
N-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybenzamide
CID 141325357
2-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methylbenzamide
CID 63311354
2-hydroxy-5-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 60728918
2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80979004
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydroxybenzamide
CID 114344540
N-[[3-(aminomethyl)phenyl]methyl]-2-hydroxy-4-methylbenzamide
CID 43589395
3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 112575105
N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide
CID 34166968
N-[(3-hydroxyphenyl)methyl]-2,4-dimethylbenzamide
CID 47292289
N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide
CID 63107843

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide (CID 114343999) is 2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CNC(=O)c2cccc(O)c2O)c1.
What is the InChIKey of 2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is BPHVFSNTQFMWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-4-2-5-11(8-10)9-16-15(19)12-6-3-7-13(17)14(12)18/h2-8,17-18H,9H2,1H3,(H,16,19).
What are the key properties of 2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide?
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 257.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 114343999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).