N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide

C16H12F2N2O — CID 82797664

IUPACN-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(C#N)cc1NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H12F2N2O/c1-9-3-5-11(8-19)7-13(9)20-16(21)14-12(17)6-4-10(2)15(14)18/h3-7H,1-2H3,(H,20,21)
InChIKeyQPMJCSARWHDTKN-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.71
Rot. Bonds2

About N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide

N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide (PubChem CID 82797664) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide
PubChem CID82797664
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC NameN-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(C#N)cc1NC(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H12F2N2O/c1-9-3-5-11(8-19)7-13(9)20-16(21)14-12(17)6-4-10(2)15(14)18/h3-7H,1-2H3,(H,20,21)
InChIKeyQPMJCSARWHDTKN-UHFFFAOYSA-N
XLogP3.71
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
CID 47475953
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 106834840
N-(5-cyano-2-methylphenyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105385118
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide
CID 82797784
N-(5-cyano-2-methylphenyl)-2,3-dimethylbenzamide
CID 47475875
N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide
CID 47475916
N-(5-cyano-2-methylphenyl)-2-methylsulfanylbenzamide
CID 78981326

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide (CID 82797664) is N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide is Cc1ccc(C#N)cc1NC(=O)c1c(F)ccc(C)c1F.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide?
The InChIKey is QPMJCSARWHDTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c1-9-3-5-11(8-19)7-13(9)20-16(21)14-12(17)6-4-10(2)15(14)18/h3-7H,1-2H3,(H,20,21).
What are the key properties of N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide?
N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide has a molecular weight of 286.28 g/mol, XLogP of 3.71, 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)-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82797664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).