4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide

C15H11F4NO — CID 66480354

IUPAC4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H11F4NO/c1-9-2-5-11(15(17,18)19)8-13(9)20-14(21)10-3-6-12(16)7-4-10/h2-8H,1H3,(H,20,21)
InChIKeyWZHIYOQAPQGUGD-UHFFFAOYSA-N
MW297.25 g/mol
LogP4.41
Rot. Bonds2

About 4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide

4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 66480354) has the molecular formula C15H11F4NO and a molecular weight of 297.25 g/mol. Its IUPAC name is 4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
PubChem CID66480354
Molecular FormulaC15H11F4NO
Molecular Weight297.25 g/mol
Exact Mass297.08
IUPAC Name4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H11F4NO/c1-9-2-5-11(15(17,18)19)8-13(9)20-14(21)10-3-6-12(16)7-4-10/h2-8H,1H3,(H,20,21)
InChIKeyWZHIYOQAPQGUGD-UHFFFAOYSA-N
XLogP4.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
3-bromo-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66477560
N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
CID 60764705
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2094760
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 143016974
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 47079713
N-(5-fluoro-2-methylphenyl)-4-formylbenzamide
CID 134025425
4-fluoro-N-[2-(2-phenylethylamino)-5-(trifluoromethyl)phenyl]benzamide
CID 134093579
5-methyl-1-[4-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazole-4-carboxylic acid
CID 167787588

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide (CID 66480354) is 4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is WZHIYOQAPQGUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO/c1-9-2-5-11(15(17,18)19)8-13(9)20-14(21)10-3-6-12(16)7-4-10/h2-8H,1H3,(H,20,21).
What are the key properties of 4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide?
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 297.25 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 66480354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).