4-[(4-cyano-2-methylphenyl)methylamino]benzamide

C16H15N3O — CID 114479640

IUPAC4-[(4-cyano-2-methylphenyl)methylamino]benzamide
SMILESCc1cc(C#N)ccc1CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H15N3O/c1-11-8-12(9-17)2-3-14(11)10-19-15-6-4-13(5-7-15)16(18)20/h2-8,19H,10H2,1H3,(H2,18,20)
InChIKeyCUDXNOWUDQISGX-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.58
Rot. Bonds4

About 4-[(4-cyano-2-methylphenyl)methylamino]benzamide

4-[(4-cyano-2-methylphenyl)methylamino]benzamide (PubChem CID 114479640) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[(4-cyano-2-methylphenyl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(4-cyano-2-methylphenyl)methylamino]benzamide
PubChem CID114479640
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[(4-cyano-2-methylphenyl)methylamino]benzamide
SMILESCc1cc(C#N)ccc1CNc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H15N3O/c1-11-8-12(9-17)2-3-14(11)10-19-15-6-4-13(5-7-15)16(18)20/h2-8,19H,10H2,1H3,(H2,18,20)
InChIKeyCUDXNOWUDQISGX-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

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Related Compounds

N-[3-[(4-cyano-2-methylphenyl)methylamino]phenyl]acetamide
CID 114479664
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
4-[(4-bromo-3,5-dimethylanilino)methyl]-3-methylbenzonitrile
CID 107573699
4-[(4-cyano-2,6-difluorophenyl)methylamino]benzamide
CID 107037509
4-[(3-fluoro-5-methylanilino)methyl]-3-methylbenzonitrile
CID 114480505
3-methyl-4-[(3-methylanilino)methyl]benzamide
CID 114479536
4-[(2-cyano-3-methylanilino)methyl]-3-methylbenzamide
CID 107804479
3-bromo-4-[(4-cyanoanilino)methyl]benzoic acid
CID 103235621
2-[(5-cyano-2-methylanilino)methyl]benzamide
CID 62103575
4-[(4-bromo-2-cyanoanilino)methyl]-3-methylbenzamide
CID 114480636
4-[(3-iodoanilino)methyl]-3-methylbenzamide
CID 114479793
4-[[(6-ethoxy-3-pyridinyl)amino]methyl]-3-methylbenzonitrile
CID 114480567

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyano-2-methylphenyl)methylamino]benzamide?
The IUPAC name of 4-[(4-cyano-2-methylphenyl)methylamino]benzamide (CID 114479640) is 4-[(4-cyano-2-methylphenyl)methylamino]benzamide.
What is the SMILES notation for 4-[(4-cyano-2-methylphenyl)methylamino]benzamide?
The canonical SMILES for 4-[(4-cyano-2-methylphenyl)methylamino]benzamide is Cc1cc(C#N)ccc1CNc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(4-cyano-2-methylphenyl)methylamino]benzamide?
The InChIKey is CUDXNOWUDQISGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-8-12(9-17)2-3-14(11)10-19-15-6-4-13(5-7-15)16(18)20/h2-8,19H,10H2,1H3,(H2,18,20).
What are the key properties of 4-[(4-cyano-2-methylphenyl)methylamino]benzamide?
4-[(4-cyano-2-methylphenyl)methylamino]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 4-[(4-cyano-2-methylphenyl)methylamino]benzamide is sourced from PubChem (CID 114479640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).