2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide

C14H9ClF3NO — CID 134626188

IUPAC2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1c(Cl)cccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H9ClF3NO/c15-11-3-1-2-10(12(11)13(19)20)8-4-6-9(7-5-8)14(16,17)18/h1-7H,(H2,19,20)
InChIKeyXSLSKSZJPCMARS-UHFFFAOYSA-N
MW299.68 g/mol
LogP4.12
Rot. Bonds2

About 2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide

2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 134626188) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is 2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID134626188
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC Name2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1c(Cl)cccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H9ClF3NO/c15-11-3-1-2-10(12(11)13(19)20)8-4-6-9(7-5-8)14(16,17)18/h1-7H,(H2,19,20)
InChIKeyXSLSKSZJPCMARS-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 2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide (CID 134626188) is 2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide is NC(=O)c1c(Cl)cccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is XSLSKSZJPCMARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c15-11-3-1-2-10(12(11)13(19)20)8-4-6-9(7-5-8)14(16,17)18/h1-7H,(H2,19,20).
What are the key properties of 2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide?
2-chloro-6-[4-(trifluoromethyl)phenyl]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 2-chloro-6-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 134626188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).