N-(5-chloro-2-cyanophenyl)-4-methylbenzamide

C15H11ClN2O — CID 60628684

IUPACN-(5-chloro-2-cyanophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)ccc2C#N)cc1
InChIInChI=1S/C15H11ClN2O/c1-10-2-4-11(5-3-10)15(19)18-14-8-13(16)7-6-12(14)9-17/h2-8H,1H3,(H,18,19)
InChIKeyDJZNCNSKNQYYCB-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.77
Rot. Bonds2

About N-(5-chloro-2-cyanophenyl)-4-methylbenzamide

N-(5-chloro-2-cyanophenyl)-4-methylbenzamide (PubChem CID 60628684) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-4-methylbenzamide
PubChem CID60628684
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC NameN-(5-chloro-2-cyanophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cl)ccc2C#N)cc1
InChIInChI=1S/C15H11ClN2O/c1-10-2-4-11(5-3-10)15(19)18-14-8-13(16)7-6-12(14)9-17/h2-8H,1H3,(H,18,19)
InChIKeyDJZNCNSKNQYYCB-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-cyanophenyl)-4-fluorobenzamide
CID 60628744
2-chloro-N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 106861258
4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide
CID 134868595
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
N-(5-chloro-2-cyanophenyl)-3-hydroxy-4-methoxybenzamide
CID 79737452
3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 107938866
2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide
CID 64918984
N-(5-chloro-2-cyanophenyl)-2,5-dimethylfuran-3-carboxamide
CID 60628705
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736
5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide
CID 60628665
N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide
CID 65098727
2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide
CID 64914385

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-4-methylbenzamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-4-methylbenzamide (CID 60628684) is N-(5-chloro-2-cyanophenyl)-4-methylbenzamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-4-methylbenzamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(Cl)ccc2C#N)cc1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-4-methylbenzamide?
The InChIKey is DJZNCNSKNQYYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-10-2-4-11(5-3-10)15(19)18-14-8-13(16)7-6-12(14)9-17/h2-8H,1H3,(H,18,19).
What are the key properties of N-(5-chloro-2-cyanophenyl)-4-methylbenzamide?
N-(5-chloro-2-cyanophenyl)-4-methylbenzamide 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-cyanophenyl)-4-methylbenzamide is sourced from PubChem (CID 60628684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).