2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide

C21H17NO3 — CID 71881144

IUPAC2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H17NO3/c23-19-13-7-4-10-16(19)14-22-21(25)18-12-6-5-11-17(18)20(24)15-8-2-1-3-9-15/h1-13,23H,14H2,(H,22,25)
InChIKeyQRIAOSKSEIPFDL-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.55
Rot. Bonds5

About 2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide

2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide (PubChem CID 71881144) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide
PubChem CID71881144
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H17NO3/c23-19-13-7-4-10-16(19)14-22-21(25)18-12-6-5-11-17(18)20(24)15-8-2-1-3-9-15/h1-13,23H,14H2,(H,22,25)
InChIKeyQRIAOSKSEIPFDL-UHFFFAOYSA-N
XLogP3.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-benzoyl-N-[(2-hydroxyphenyl)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-benzoyl-N-[(2-fluorophenyl)methyl]benzamide
CID 9142222
N-[(2,3-dihydroxyphenyl)methyl]benzamide
CID 143948328
methyl 2-[(2-benzoylbenzoyl)amino]acetate
CID 26586239
2-benzoyl-N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 177308540
3,4,5-trifluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115735463
2-[(2-fluorophenyl)methylcarbamoyl]benzoic acid
CID 43397101
3-chloro-2-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115703996
2-benzoyl-N-(3-methoxypropyl)benzamide
CID 11841231
2-benzoyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzamide
CID 122261778
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731
4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598912
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide?
The IUPAC name of 2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide (CID 71881144) is 2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide?
The canonical SMILES for 2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide is O=C(NCc1ccccc1O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide?
The InChIKey is QRIAOSKSEIPFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c23-19-13-7-4-10-16(19)14-22-21(25)18-12-6-5-11-17(18)20(24)15-8-2-1-3-9-15/h1-13,23H,14H2,(H,22,25).
What are the key properties of 2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide?
2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide has a molecular weight of 331.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[(2-hydroxyphenyl)methyl]benzamide is sourced from PubChem (CID 71881144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).