5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide

C15H10ClFN2O — CID 115532718

IUPAC5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)cc1F
InChIInChI=1S/C15H10ClFN2O/c1-9-2-4-11(16)7-12(9)15(20)19-14-5-3-10(8-18)6-13(14)17/h2-7H,1H3,(H,19,20)
InChIKeyLIGQIZOETKGXSR-UHFFFAOYSA-N
MW288.71 g/mol
LogP3.91
Rot. Bonds2

About 5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide

5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide (PubChem CID 115532718) has the molecular formula C15H10ClFN2O and a molecular weight of 288.71 g/mol. Its IUPAC name is 5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
PubChem CID115532718
Molecular FormulaC15H10ClFN2O
Molecular Weight288.71 g/mol
Exact Mass288.05
IUPAC Name5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)cc1F
InChIInChI=1S/C15H10ClFN2O/c1-9-2-4-11(16)7-12(9)15(20)19-14-5-3-10(8-18)6-13(14)17/h2-7H,1H3,(H,19,20)
InChIKeyLIGQIZOETKGXSR-UHFFFAOYSA-N
XLogP3.91
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.71
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
N-(4-cyano-2-fluorophenyl)acetamide
CID 11344323
3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide
CID 115930631
4-chloro-N-(5-cyano-2-methylphenyl)-2-methoxybenzamide
CID 62059730
N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103820430
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide
CID 103820409
N-(2-chloro-4-cyanophenyl)-2-fluoro-3-methylbenzamide
CID 103811028
N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
CID 103842699
2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide
CID 103820442
5-chloro-N-(2-chloro-4-cyanophenyl)-2-methoxybenzamide
CID 103811217

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide?
The IUPAC name of 5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide (CID 115532718) is 5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)Nc1ccc(C#N)cc1F.
What is the InChIKey of 5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide?
The InChIKey is LIGQIZOETKGXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O/c1-9-2-4-11(16)7-12(9)15(20)19-14-5-3-10(8-18)6-13(14)17/h2-7H,1H3,(H,19,20).
What are the key properties of 5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide?
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide has a molecular weight of 288.71 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide is sourced from PubChem (CID 115532718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).