3-chloro-N-(5-cyano-2-methylphenyl)benzamide

C15H11ClN2O — CID 47475839

IUPAC3-chloro-N-(5-cyano-2-methylphenyl)benzamide
SMILESCc1ccc(C#N)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O/c1-10-5-6-11(9-17)7-14(10)18-15(19)12-3-2-4-13(16)8-12/h2-8H,1H3,(H,18,19)
InChIKeyIULAZTXQCNTMEO-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.77
Rot. Bonds2

About 3-chloro-N-(5-cyano-2-methylphenyl)benzamide

3-chloro-N-(5-cyano-2-methylphenyl)benzamide (PubChem CID 47475839) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-chloro-N-(5-cyano-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-cyano-2-methylphenyl)benzamide
PubChem CID47475839
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name3-chloro-N-(5-cyano-2-methylphenyl)benzamide
SMILESCc1ccc(C#N)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2O/c1-10-5-6-11(9-17)7-14(10)18-15(19)12-3-2-4-13(16)8-12/h2-8H,1H3,(H,18,19)
InChIKeyIULAZTXQCNTMEO-UHFFFAOYSA-N
XLogP3.77
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-3-cyanobenzamide
CID 7719573
3-chloro-N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]benzamide
CID 60804718
3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
CID 103736029
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953
6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 47475855
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057187
N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
CID 47475875
3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
CID 46485899
3-chloro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 5211673
4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide
CID 62059730

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-cyano-2-methylphenyl)benzamide?
The IUPAC name of 3-chloro-N-(5-cyano-2-methylphenyl)benzamide (CID 47475839) is 3-chloro-N-(5-cyano-2-methylphenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-cyano-2-methylphenyl)benzamide?
The canonical SMILES for 3-chloro-N-(5-cyano-2-methylphenyl)benzamide is Cc1ccc(C#N)cc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-cyano-2-methylphenyl)benzamide?
The InChIKey is IULAZTXQCNTMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-10-5-6-11(9-17)7-14(10)18-15(19)12-3-2-4-13(16)8-12/h2-8H,1H3,(H,18,19).
What are the key properties of 3-chloro-N-(5-cyano-2-methylphenyl)benzamide?
3-chloro-N-(5-cyano-2-methylphenyl)benzamide has a molecular weight of 270.72 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-cyano-2-methylphenyl)benzamide is sourced from PubChem (CID 47475839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).