2-[(5-cyano-2-methylanilino)methyl]benzamide

C16H15N3O — CID 62103575

IUPAC2-[(5-cyano-2-methylanilino)methyl]benzamide
SMILESCc1ccc(C#N)cc1NCc1ccccc1C(N)=O
InChIInChI=1S/C16H15N3O/c1-11-6-7-12(9-17)8-15(11)19-10-13-4-2-3-5-14(13)16(18)20/h2-8,19H,10H2,1H3,(H2,18,20)
InChIKeyLRZNQYPCGACWFA-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.58
Rot. Bonds4

About 2-[(5-cyano-2-methylanilino)methyl]benzamide

2-[(5-cyano-2-methylanilino)methyl]benzamide (PubChem CID 62103575) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[(5-cyano-2-methylanilino)methyl]benzamide.

Molecular Properties

Compound Name2-[(5-cyano-2-methylanilino)methyl]benzamide
PubChem CID62103575
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-[(5-cyano-2-methylanilino)methyl]benzamide
SMILESCc1ccc(C#N)cc1NCc1ccccc1C(N)=O
InChIInChI=1S/C16H15N3O/c1-11-6-7-12(9-17)8-15(11)19-10-13-4-2-3-5-14(13)16(18)20/h2-8,19H,10H2,1H3,(H2,18,20)
InChIKeyLRZNQYPCGACWFA-UHFFFAOYSA-N
XLogP2.58
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5-cyano-2-methylanilino)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

3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile
CID 66417871
5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79613618
3-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylbenzonitrile
CID 62103912
2-[(4-bromo-2-methylanilino)methyl]benzamide
CID 28572427
N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 47475886
4-methyl-3-[(2-prop-2-enoxyphenyl)methylamino]benzonitrile
CID 62102985
3-methyl-4-[(2-propylanilino)methyl]benzonitrile
CID 114480098
3-[(2-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008844
2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide
CID 28596653
4-[(4-cyano-2-methylphenyl)methylamino]benzamide
CID 114479640
3-[(2-chloro-4-methylphenyl)methylamino]-4-methylbenzonitrile
CID 106862565
2-amino-3-(5-cyano-2-methylanilino)propanoic acid
CID 103248485

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-methylanilino)methyl]benzamide?
The IUPAC name of 2-[(5-cyano-2-methylanilino)methyl]benzamide (CID 62103575) is 2-[(5-cyano-2-methylanilino)methyl]benzamide.
What is the SMILES notation for 2-[(5-cyano-2-methylanilino)methyl]benzamide?
The canonical SMILES for 2-[(5-cyano-2-methylanilino)methyl]benzamide is Cc1ccc(C#N)cc1NCc1ccccc1C(N)=O.
What is the InChIKey of 2-[(5-cyano-2-methylanilino)methyl]benzamide?
The InChIKey is LRZNQYPCGACWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-6-7-12(9-17)8-15(11)19-10-13-4-2-3-5-14(13)16(18)20/h2-8,19H,10H2,1H3,(H2,18,20).
What are the key properties of 2-[(5-cyano-2-methylanilino)methyl]benzamide?
2-[(5-cyano-2-methylanilino)methyl]benzamide has a molecular weight of 265.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-methylanilino)methyl]benzamide is sourced from PubChem (CID 62103575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).