N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide

C15H10F2N2O — CID 115659818

IUPACN-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2cccc(F)c2C#N)c1
InChIInChI=1S/C15H10F2N2O/c1-9-5-10(7-11(16)6-9)15(20)19-14-4-2-3-13(17)12(14)8-18/h2-7H,1H3,(H,19,20)
InChIKeyRIGJHMCTTHFTCB-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.40
Rot. Bonds2

About N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide

N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide (PubChem CID 115659818) has the molecular formula C15H10F2N2O and a molecular weight of 272.25 g/mol. Its IUPAC name is N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide
PubChem CID115659818
Molecular FormulaC15H10F2N2O
Molecular Weight272.25 g/mol
Exact Mass272.08
IUPAC NameN-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2cccc(F)c2C#N)c1
InChIInChI=1S/C15H10F2N2O/c1-9-5-10(7-11(16)6-9)15(20)19-14-4-2-3-13(17)12(14)8-18/h2-7H,1H3,(H,19,20)
InChIKeyRIGJHMCTTHFTCB-UHFFFAOYSA-N
XLogP3.40
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyano-3-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 43580332
N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
CID 112701162
3-bromo-5-chloro-N-(2-cyano-3-fluorophenyl)benzamide
CID 103826905
N-(2-cyano-3-fluorophenyl)-2,4-difluorobenzamide
CID 43580325
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-carboxamide
CID 79925633
2-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580716
N-(2-cyano-3-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79487939
N-(2-cyano-3-fluorophenyl)propanamide
CID 43580352
2-chloro-N-(2-cyano-3-fluorophenyl)-3-fluorobenzamide
CID 79035734
methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
CID 115659778
6-chloro-N-(2-cyano-3-fluorophenyl)pyridine-2-carboxamide
CID 62232716
2-bromo-N-(2-cyano-3-fluorophenyl)furan-3-carboxamide
CID 106852092

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide?
The IUPAC name of N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide (CID 115659818) is N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide is Cc1cc(F)cc(C(=O)Nc2cccc(F)c2C#N)c1.
What is the InChIKey of N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide?
The InChIKey is RIGJHMCTTHFTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O/c1-9-5-10(7-11(16)6-9)15(20)19-14-4-2-3-13(17)12(14)8-18/h2-7H,1H3,(H,19,20).
What are the key properties of N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide?
N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide has a molecular weight of 272.25 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 115659818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).