N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide

C15H11F2N3O — CID 82682867

IUPACN-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C15H11F2N3O/c1-19-14-11(3-2-4-12(14)17)15(21)20-13-6-5-10(16)7-9(13)8-18/h2-7,19H,1H3,(H,20,21)
InChIKeyZEADWYZVILHIBE-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.13
Rot. Bonds3

About N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide

N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide (PubChem CID 82682867) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide
PubChem CID82682867
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC NameN-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C15H11F2N3O/c1-19-14-11(3-2-4-12(14)17)15(21)20-13-6-5-10(16)7-9(13)8-18/h2-7,19H,1H3,(H,20,21)
InChIKeyZEADWYZVILHIBE-UHFFFAOYSA-N
XLogP3.13
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-4-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 82683757
3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
CID 62808855
2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide
CID 82016640
3-fluoro-N-(4-fluorophenyl)-2-(methylamino)benzamide
CID 62648773
N-(2-cyano-4-fluorophenyl)-2,5-dihydroxybenzamide
CID 107722029
N-(3,5-difluorophenyl)-3-fluoro-2-(methylamino)benzamide
CID 62650098
N-(4-bromo-2-methylphenyl)-3-fluoro-2-(methylamino)benzamide
CID 62649691
N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 79953368
N-(2-cyano-4-fluorophenyl)-4-methylbenzamide
CID 79947423
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
N-(2-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 79954178
2-bromo-5-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 103739886

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide (CID 82682867) is N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide is CNc1c(F)cccc1C(=O)Nc1ccc(F)cc1C#N.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide?
The InChIKey is ZEADWYZVILHIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c1-19-14-11(3-2-4-12(14)17)15(21)20-13-6-5-10(16)7-9(13)8-18/h2-7,19H,1H3,(H,20,21).
What are the key properties of N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide?
N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide has a molecular weight of 287.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-3-fluoro-2-(methylamino)benzamide is sourced from PubChem (CID 82682867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).