N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide

C16H14N2O2 — CID 103951763

IUPACN-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2cccc(C#N)c2)ccc1O
InChIInChI=1S/C16H14N2O2/c1-11-7-14(5-6-15(11)19)16(20)18-10-13-4-2-3-12(8-13)9-17/h2-8,19H,10H2,1H3,(H,18,20)
InChIKeyMICRSGRPHGCLPX-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.50
Rot. Bonds3

About N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide

N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide (PubChem CID 103951763) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide
PubChem CID103951763
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC NameN-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2cccc(C#N)c2)ccc1O
InChIInChI=1S/C16H14N2O2/c1-11-7-14(5-6-15(11)19)16(20)18-10-13-4-2-3-12(8-13)9-17/h2-8,19H,10H2,1H3,(H,18,20)
InChIKeyMICRSGRPHGCLPX-UHFFFAOYSA-N
XLogP2.50
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide 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

N-[(3-cyanophenyl)methyl]-4-sulfanylbenzamide
CID 107028201
N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide
CID 114820614
3-bromo-N-[(3-cyanophenyl)methyl]-5-methylbenzamide
CID 104851511
5-amino-N-[(3-cyanophenyl)methyl]-2,4-dimethylbenzamide
CID 102705125
3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
CID 61103321
2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide
CID 61102170
2-bromo-N-[(3-cyanophenyl)methyl]-3-methylbenzamide
CID 103853121
N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide
CID 82797784
3-amino-N-[(3-cyanophenyl)methyl]-5-fluoro-4-methylbenzamide
CID 61102742
3-[(3-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 43726891
N-[(3-cyanophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 94044019
3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide
CID 61101981

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide (CID 103951763) is N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)NCc2cccc(C#N)c2)ccc1O.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide?
The InChIKey is MICRSGRPHGCLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-7-14(5-6-15(11)19)16(20)18-10-13-4-2-3-12(8-13)9-17/h2-8,19H,10H2,1H3,(H,18,20).
What are the key properties of N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide?
N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide has a molecular weight of 266.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 103951763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).