2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide

C14H7F6NO — CID 28560319

IUPAC2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H7F6NO/c15-7-1-3-11(16)9(5-7)13(22)21-8-2-4-12(17)10(6-8)14(18,19)20/h1-6H,(H,21,22)
InChIKeyVPATUXARLUGRDC-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.38
Rot. Bonds2

About 2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide

2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 28560319) has the molecular formula C14H7F6NO and a molecular weight of 319.20 g/mol. Its IUPAC name is 2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
PubChem CID28560319
Molecular FormulaC14H7F6NO
Molecular Weight319.20 g/mol
Exact Mass319.04
IUPAC Name2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H7F6NO/c15-7-1-3-11(16)9(5-7)13(22)21-8-2-4-12(17)10(6-8)14(18,19)20/h1-6H,(H,21,22)
InChIKeyVPATUXARLUGRDC-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24573056
2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
CID 60615705
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483
2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 42370376
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55142680
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide (CID 28560319) is 2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VPATUXARLUGRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F6NO/c15-7-1-3-11(16)9(5-7)13(22)21-8-2-4-12(17)10(6-8)14(18,19)20/h1-6H,(H,21,22).
What are the key properties of 2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide?
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 319.20 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 28560319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).