N-(3-amino-4-methylphenyl)-3-cyanobenzamide

C15H13N3O — CID 24707349

IUPACN-(3-amino-4-methylphenyl)-3-cyanobenzamide
SMILESCc1ccc(NC(=O)c2cccc(C#N)c2)cc1N
InChIInChI=1S/C15H13N3O/c1-10-5-6-13(8-14(10)17)18-15(19)12-4-2-3-11(7-12)9-16/h2-8H,17H2,1H3,(H,18,19)
InChIKeyFTSAYZUVNDKTOD-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.70
Rot. Bonds2

About N-(3-amino-4-methylphenyl)-3-cyanobenzamide

N-(3-amino-4-methylphenyl)-3-cyanobenzamide (PubChem CID 24707349) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-3-cyanobenzamide
PubChem CID24707349
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-(3-amino-4-methylphenyl)-3-cyanobenzamide
SMILESCc1ccc(NC(=O)c2cccc(C#N)c2)cc1N
InChIInChI=1S/C15H13N3O/c1-10-5-6-13(8-14(10)17)18-15(19)12-4-2-3-11(7-12)9-16/h2-8H,17H2,1H3,(H,18,19)
InChIKeyFTSAYZUVNDKTOD-UHFFFAOYSA-N
XLogP2.70
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115377455
N-(6-amino-2,3-dimethylphenyl)-3-cyanobenzamide
CID 43548048
3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 8893485
3-cyano-N-(2-methyl-5-phenylphenyl)benzamide;2-methyl-5-phenylaniline
CID 157458415
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
3-cyano-N-(5-methyl-3-pyridinyl)benzamide
CID 110727253
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057187
3-cyano-N-(5-methyl-3-pyridinyl)benzamide;ethane
CID 145349636
3-cyano-N-(3-methoxyphenyl)benzamide
CID 2709744
4-amino-N-(3-cyanophenyl)-3-fluorobenzamide
CID 62678530
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-3-cyanobenzamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-3-cyanobenzamide (CID 24707349) is N-(3-amino-4-methylphenyl)-3-cyanobenzamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-3-cyanobenzamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-3-cyanobenzamide is Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-3-cyanobenzamide?
The InChIKey is FTSAYZUVNDKTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-5-6-13(8-14(10)17)18-15(19)12-4-2-3-11(7-12)9-16/h2-8H,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-4-methylphenyl)-3-cyanobenzamide?
N-(3-amino-4-methylphenyl)-3-cyanobenzamide has a molecular weight of 251.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-3-cyanobenzamide is sourced from PubChem (CID 24707349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).