4-(2-chlorophenyl)-3-(trifluoromethyl)benzamide

C14H9ClF3NO — CID 69323940

IUPAC4-(2-chlorophenyl)-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(-c2ccccc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF3NO/c15-12-4-2-1-3-10(12)9-6-5-8(13(19)20)7-11(9)14(16,17)18/h1-7H,(H2,19,20)
InChIKeyYSSIHSIREUWTTR-UHFFFAOYSA-N
MW299.68 g/mol
LogP4.12
Rot. Bonds2

About 4-(2-chlorophenyl)-3-(trifluoromethyl)benzamide

4-(2-chlorophenyl)-3-(trifluoromethyl)benzamide (PubChem CID 69323940) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-3-(trifluoromethyl)benzamide
PubChem CID69323940
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC Name4-(2-chlorophenyl)-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(-c2ccccc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF3NO/c15-12-4-2-1-3-10(12)9-6-5-8(13(19)20)7-11(9)14(16,17)18/h1-7H,(H2,19,20)
InChIKeyYSSIHSIREUWTTR-UHFFFAOYSA-N
XLogP4.12
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(2-chlorophenyl)-3-(trifluoromethyl)benzamide (CID 69323940) is 4-(2-chlorophenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(2-chlorophenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(2-chlorophenyl)-3-(trifluoromethyl)benzamide is NC(=O)c1ccc(-c2ccccc2Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2-chlorophenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is YSSIHSIREUWTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c15-12-4-2-1-3-10(12)9-6-5-8(13(19)20)7-11(9)14(16,17)18/h1-7H,(H2,19,20).
What are the key properties of 4-(2-chlorophenyl)-3-(trifluoromethyl)benzamide?
4-(2-chlorophenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 299.68 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69323940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).