2-amino-3-(2-cyano-N-methylanilino)benzamide

C15H14N4O — CID 115546642

IUPAC2-amino-3-(2-cyano-N-methylanilino)benzamide
SMILESCN(c1ccccc1C#N)c1cccc(C(N)=O)c1N
InChIInChI=1S/C15H14N4O/c1-19(12-7-3-2-5-10(12)9-16)13-8-4-6-11(14(13)17)15(18)20/h2-8H,17H2,1H3,(H2,18,20)
InChIKeyBDHXMFFMRWXIEO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.01
Rot. Bonds3

About 2-amino-3-(2-cyano-N-methylanilino)benzamide

2-amino-3-(2-cyano-N-methylanilino)benzamide (PubChem CID 115546642) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-amino-3-(2-cyano-N-methylanilino)benzamide.

Molecular Properties

Compound Name2-amino-3-(2-cyano-N-methylanilino)benzamide
PubChem CID115546642
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-amino-3-(2-cyano-N-methylanilino)benzamide
SMILESCN(c1ccccc1C#N)c1cccc(C(N)=O)c1N
InChIInChI=1S/C15H14N4O/c1-19(12-7-3-2-5-10(12)9-16)13-8-4-6-11(14(13)17)15(18)20/h2-8H,17H2,1H3,(H2,18,20)
InChIKeyBDHXMFFMRWXIEO-UHFFFAOYSA-N
XLogP2.01
TPSA96.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-3-chloro-N-methylanilino)benzonitrile
CID 104834743
2-(N-methyl-2-propanoylanilino)benzonitrile
CID 115994661
cobalt(2+);2-cyanobenzamide;dichloride;hexahydrate
CID 67432245
2-amino-3-[2-(dimethylamino)ethyl-methylamino]benzamide
CID 115546160
2-amino-3-[benzyl(methyl)amino]benzamide
CID 115544396
2-(2-amino-3,5-difluoro-N-methylanilino)benzonitrile
CID 115507173
3-acetyl-2-aminobenzonitrile
CID 45086189
4-amino-N-(2-cyanophenyl)-N-methylbenzamide
CID 54296865
naphthalene-1-carbonitrile;naphthalene-1-carboxamide
CID 158583928
2-amino-3-[3,3-dimethylbutan-2-yl(methyl)amino]benzamide
CID 115545560
2-amino-3-[(2-hydroxy-2-methylpropyl)-methylamino]benzamide
CID 115546523
2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide
CID 103857236

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-cyano-N-methylanilino)benzamide?
The IUPAC name of 2-amino-3-(2-cyano-N-methylanilino)benzamide (CID 115546642) is 2-amino-3-(2-cyano-N-methylanilino)benzamide.
What is the SMILES notation for 2-amino-3-(2-cyano-N-methylanilino)benzamide?
The canonical SMILES for 2-amino-3-(2-cyano-N-methylanilino)benzamide is CN(c1ccccc1C#N)c1cccc(C(N)=O)c1N.
What is the InChIKey of 2-amino-3-(2-cyano-N-methylanilino)benzamide?
The InChIKey is BDHXMFFMRWXIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19(12-7-3-2-5-10(12)9-16)13-8-4-6-11(14(13)17)15(18)20/h2-8H,17H2,1H3,(H2,18,20).
What are the key properties of 2-amino-3-(2-cyano-N-methylanilino)benzamide?
2-amino-3-(2-cyano-N-methylanilino)benzamide has a molecular weight of 266.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-cyano-N-methylanilino)benzamide is sourced from PubChem (CID 115546642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).