3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide

C14H9F4NO — CID 68758850

IUPAC3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(C(F)(F)F)c(F)c2)c1
InChIInChI=1S/C14H9F4NO/c15-12-7-9(4-5-11(12)14(16,17)18)8-2-1-3-10(6-8)13(19)20/h1-7H,(H2,19,20)
InChIKeyXLXSZDCJRNCVJO-UHFFFAOYSA-N
MW283.22 g/mol
LogP3.61
Rot. Bonds2

About 3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide

3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide (PubChem CID 68758850) has the molecular formula C14H9F4NO and a molecular weight of 283.22 g/mol. Its IUPAC name is 3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide
PubChem CID68758850
Molecular FormulaC14H9F4NO
Molecular Weight283.22 g/mol
Exact Mass283.06
IUPAC Name3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(C(F)(F)F)c(F)c2)c1
InChIInChI=1S/C14H9F4NO/c15-12-7-9(4-5-11(12)14(16,17)18)8-2-1-3-10(6-8)13(19)20/h1-7H,(H2,19,20)
InChIKeyXLXSZDCJRNCVJO-UHFFFAOYSA-N
XLogP3.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluoro-4-methoxyphenyl)benzamide
CID 68818750
3-[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]phenyl]benzamide
CID 59316493
3,4-bis(trifluoromethyl)benzamide;hydrochloride
CID 174566583
3-(3-carbamoylphenyl)-2-(4-fluorophenoxy)-6-(trifluoromethyl)benzamide
CID 154700274
4-(3-carbamoylphenyl)benzoate
CID 86307207
3-amino-4-(trifluoromethyl)benzamide
CID 70566293
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]benzamide
CID 59492649
4-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(3-phenylphenyl)-6-(trifluoromethyl)pyrimidine
CID 151250350
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
3-phenylbenzamide;phosphoric acid
CID 130454344
3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide
CID 172648845

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide (CID 68758850) is 3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide is NC(=O)c1cccc(-c2ccc(C(F)(F)F)c(F)c2)c1.
What is the InChIKey of 3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XLXSZDCJRNCVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO/c15-12-7-9(4-5-11(12)14(16,17)18)8-2-1-3-10(6-8)13(19)20/h1-7H,(H2,19,20).
What are the key properties of 3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide?
3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 283.22 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 68758850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).