5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide

C15H12ClN3O — CID 62167777

IUPAC5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H12ClN3O/c1-18-14-7-6-11(16)8-12(14)15(20)19-13-5-3-2-4-10(13)9-17/h2-8,18H,1H3,(H,19,20)
InChIKeyDULBMWZLSJGEJK-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.51
Rot. Bonds3

About 5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide

5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide (PubChem CID 62167777) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide
PubChem CID62167777
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide
SMILESCNc1ccc(Cl)cc1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C15H12ClN3O/c1-18-14-7-6-11(16)8-12(14)15(20)19-13-5-3-2-4-10(13)9-17/h2-8,18H,1H3,(H,19,20)
InChIKeyDULBMWZLSJGEJK-UHFFFAOYSA-N
XLogP3.51
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide
CID 107801239
5-chloro-N-(4-cyanophenyl)-2-(methylamino)benzamide
CID 62166046
2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide
CID 90451435
N-(2-cyanophenyl)-5-(2,4-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 7464368
5-chloro-2-(2-cyanoanilino)benzoic acid
CID 63538465
N-(5-bromo-2-cyanophenyl)-2-(methylamino)benzamide
CID 107799477
2-chloro-N-(2-cyanophenyl)-3-fluorobenzamide
CID 79044792
1-(5-chloro-2-methylphenyl)-3-(2-cyanophenyl)urea
CID 17180173
N-(2-cyanophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108970103
5-chloro-N-(2,5-difluorophenyl)-2-(methylamino)benzamide
CID 62172768
N-(2-cyanophenyl)-2-fluoro-5-nitrobenzamide
CID 43377431
5-chloro-N-(3,5-dimethylphenyl)-2-(methylamino)benzamide
CID 62165706

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide?
The IUPAC name of 5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide (CID 62167777) is 5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide?
The canonical SMILES for 5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide is CNc1ccc(Cl)cc1C(=O)Nc1ccccc1C#N.
What is the InChIKey of 5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide?
The InChIKey is DULBMWZLSJGEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-18-14-7-6-11(16)8-12(14)15(20)19-13-5-3-2-4-10(13)9-17/h2-8,18H,1H3,(H,19,20).
What are the key properties of 5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide?
5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide has a molecular weight of 285.73 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide is sourced from PubChem (CID 62167777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).