N-(5-chloro-2-methylphenyl)-3-cyanobenzamide

C15H11ClN2O — CID 7719573

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

About N-(5-chloro-2-methylphenyl)-3-cyanobenzamide

N-(5-chloro-2-methylphenyl)-3-cyanobenzamide (PubChem CID 7719573) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-cyanobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-cyanobenzamide
PubChem CID7719573
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC NameN-(5-chloro-2-methylphenyl)-3-cyanobenzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H11ClN2O/c1-10-5-6-13(16)8-14(10)18-15(19)12-4-2-3-11(7-12)9-17/h2-8H,1H3,(H,18,19)
InChIKeyKQRUCFVFYXRWRB-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

3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
N-(2-bromo-5-chlorophenyl)-3-cyanobenzamide
CID 81271572
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
N-(2-chloro-4-methylphenyl)-3-cyanobenzamide
CID 7760531
N-(2-bromo-5-chloro-4-methylphenyl)-3-cyanobenzamide
CID 104723758
1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057187
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-cyanobenzamide
CID 56530671
3-cyano-N-(2-methyl-5-phenylphenyl)benzamide;2-methyl-5-phenylaniline
CID 157458415
3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
CID 103736029
N-(4-bromo-2-methylphenyl)-3-cyanobenzamide
CID 18777750
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050783

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-cyanobenzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-cyanobenzamide (CID 7719573) is N-(5-chloro-2-methylphenyl)-3-cyanobenzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-cyanobenzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-cyanobenzamide is Cc1ccc(Cl)cc1NC(=O)c1cccc(C#N)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-cyanobenzamide?
The InChIKey is KQRUCFVFYXRWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-10-5-6-13(16)8-14(10)18-15(19)12-4-2-3-11(7-12)9-17/h2-8H,1H3,(H,18,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-cyanobenzamide?
N-(5-chloro-2-methylphenyl)-3-cyanobenzamide 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 N-(5-chloro-2-methylphenyl)-3-cyanobenzamide is sourced from PubChem (CID 7719573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).