2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide

C16H15N3O — CID 62301838

IUPAC2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C16H15N3O/c1-11-3-2-4-14(18)15(11)16(20)19-13-7-5-12(6-8-13)9-10-17/h2-8H,9,18H2,1H3,(H,19,20)
InChIKeyLWQMVSDFEARCLH-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.90
Rot. Bonds3

About 2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide

2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide (PubChem CID 62301838) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide
PubChem CID62301838
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C16H15N3O/c1-11-3-2-4-14(18)15(11)16(20)19-13-7-5-12(6-8-13)9-10-17/h2-8H,9,18H2,1H3,(H,19,20)
InChIKeyLWQMVSDFEARCLH-UHFFFAOYSA-N
XLogP2.90
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-[4-(cyanomethyl)phenyl]-6-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

2-amino-N-(4-ethylphenyl)-6-methylbenzamide
CID 16788782
N-[4-(cyanomethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 60682495
2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 61117390
2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 18069728
N-[4-(cyanomethyl)phenyl]-2,6-difluoro-3-methylbenzamide
CID 82797666
N-(4-aminophenyl)-2,6-dimethylbenzamide
CID 114025945
2-amino-N-(4-fluoro-3-methylphenyl)-6-methylbenzamide
CID 55119448
2-amino-N-(2-cyanophenyl)-6-methylbenzamide
CID 16781189
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 112726762
4-(cyanomethyl)-N-(3,4-dimethylphenyl)benzamide
CID 82179426
N-[4-(cyanomethyl)phenyl]-2-methylpyridine-3-carboxamide
CID 78950821

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide?
The IUPAC name of 2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide (CID 62301838) is 2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide?
The canonical SMILES for 2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide is Cc1cccc(N)c1C(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of 2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide?
The InChIKey is LWQMVSDFEARCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-3-2-4-14(18)15(11)16(20)19-13-7-5-12(6-8-13)9-10-17/h2-8H,9,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide?
2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide has a molecular weight of 265.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide is sourced from PubChem (CID 62301838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).