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

C15H10F5NO — CID 24573056

IUPAC2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cc(F)ccc2F)cc1C(F)(F)F
InChIInChI=1S/C15H10F5NO/c1-8-2-4-10(7-12(8)15(18,19)20)21-14(22)11-6-9(16)3-5-13(11)17/h2-7H,1H3,(H,21,22)
InChIKeyGRAIHLFDRBLCST-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.54
Rot. Bonds2

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

2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 24573056) has the molecular formula C15H10F5NO and a molecular weight of 315.24 g/mol. Its IUPAC name is 2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
PubChem CID24573056
Molecular FormulaC15H10F5NO
Molecular Weight315.24 g/mol
Exact Mass315.07
IUPAC Name2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cc(F)ccc2F)cc1C(F)(F)F
InChIInChI=1S/C15H10F5NO/c1-8-2-4-10(7-12(8)15(18,19)20)21-14(22)11-6-9(16)3-5-13(11)17/h2-7H,1H3,(H,21,22)
InChIKeyGRAIHLFDRBLCST-UHFFFAOYSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793823
2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
CID 60615705
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
N-(4-chlorophenyl)-5-fluoro-2-methylbenzamide
CID 34753639
N-(3-bromo-4-fluorophenyl)-2,5-difluorobenzamide
CID 115661483
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55480057
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
2,5-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 42370376
2-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 43245678
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide (CID 24573056) is 2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(NC(=O)c2cc(F)ccc2F)cc1C(F)(F)F.
What is the InChIKey of 2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GRAIHLFDRBLCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5NO/c1-8-2-4-10(7-12(8)15(18,19)20)21-14(22)11-6-9(16)3-5-13(11)17/h2-7H,1H3,(H,21,22).
What are the key properties of 2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide?
2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 315.24 g/mol, XLogP of 4.54, 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-methyl-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 24573056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).