N-(5-cyano-2-methylphenyl)-2-fluorobenzamide

C15H11FN2O — CID 47475835

IUPACN-(5-cyano-2-methylphenyl)-2-fluorobenzamide
SMILESCc1ccc(C#N)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C15H11FN2O/c1-10-6-7-11(9-17)8-14(10)18-15(19)12-4-2-3-5-13(12)16/h2-8H,1H3,(H,18,19)
InChIKeyQEPJNAXFBZPMGI-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.26
Rot. Bonds2

About N-(5-cyano-2-methylphenyl)-2-fluorobenzamide

N-(5-cyano-2-methylphenyl)-2-fluorobenzamide (PubChem CID 47475835) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-2-fluorobenzamide
PubChem CID47475835
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC NameN-(5-cyano-2-methylphenyl)-2-fluorobenzamide
SMILESCc1ccc(C#N)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C15H11FN2O/c1-10-6-7-11(9-17)8-14(10)18-15(19)12-4-2-3-5-13(12)16/h2-8H,1H3,(H,18,19)
InChIKeyQEPJNAXFBZPMGI-UHFFFAOYSA-N
XLogP3.26
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide
CID 78981326
N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
CID 47475875
N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797664
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953
N-(5-cyano-2-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 47475886
methyl 3-[(4-cyano-2-fluorobenzoyl)amino]-4-methylbenzoate
CID 2992050
N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide
CID 78965091
N-(5-cyano-2-methylphenyl)-2,5-dihydroxybenzamide
CID 107721998
N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385118
N-(5-cyano-2-methylphenyl)-2-methoxypyridine-3-carboxamide
CID 62060853
N-(5-cyano-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62059398
N-(5-cyano-2-methylphenyl)-2-hydrazinyl-5-methylbenzamide
CID 62510979

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-2-fluorobenzamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-2-fluorobenzamide (CID 47475835) is N-(5-cyano-2-methylphenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-2-fluorobenzamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-2-fluorobenzamide is Cc1ccc(C#N)cc1NC(=O)c1ccccc1F.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-2-fluorobenzamide?
The InChIKey is QEPJNAXFBZPMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c1-10-6-7-11(9-17)8-14(10)18-15(19)12-4-2-3-5-13(12)16/h2-8H,1H3,(H,18,19).
What are the key properties of N-(5-cyano-2-methylphenyl)-2-fluorobenzamide?
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide has a molecular weight of 254.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 47475835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).