N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide

C16H13FN2O — CID 47475953

IUPACN-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1F
InChIInChI=1S/C16H13FN2O/c1-10-4-6-13(8-14(10)17)16(20)19-15-7-12(9-18)5-3-11(15)2/h3-8H,1-2H3,(H,19,20)
InChIKeyZLNPPENPLYCUPL-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.57
Rot. Bonds2

About N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide

N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide (PubChem CID 47475953) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
PubChem CID47475953
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC NameN-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1F
InChIInChI=1S/C16H13FN2O/c1-10-4-6-13(8-14(10)17)16(20)19-15-7-12(9-18)5-3-11(15)2/h3-8H,1-2H3,(H,19,20)
InChIKeyZLNPPENPLYCUPL-UHFFFAOYSA-N
XLogP3.57
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 78965367
N-(4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 24694502
3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide
CID 103736029
N-(5-cyano-2-methylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797664
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835
N-(2-cyano-3-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 43580332
3-chloro-N-(5-cyano-2-methylphenyl)benzamide
CID 47475839
3-bromo-N-(5-cyano-3-fluoro-2-methylphenyl)-4-methylbenzamide
CID 79489943
6-chloro-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 47475855
6-bromo-N-(5-cyano-2-methylphenyl)pyridine-3-carboxamide
CID 66464924
methyl 3-[(4-cyano-2-fluorobenzoyl)amino]-4-methylbenzoate
CID 2992050
N-(5-cyano-2-methylphenyl)-1H-indazole-6-carboxamide
CID 62907539

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide (CID 47475953) is N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(C#N)ccc2C)cc1F.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide?
The InChIKey is ZLNPPENPLYCUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10-4-6-13(8-14(10)17)16(20)19-15-7-12(9-18)5-3-11(15)2/h3-8H,1-2H3,(H,19,20).
What are the key properties of N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide?
N-(5-cyano-2-methylphenyl)-3-fluoro-4-methylbenzamide has a molecular weight of 268.29 g/mol, XLogP of 3.57, 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)-3-fluoro-4-methylbenzamide is sourced from PubChem (CID 47475953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).