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

C14H9ClF3NO — CID 68758024

IUPAC3-[3-chloro-4-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(C(F)(F)F)c(Cl)c2)c1
InChIInChI=1S/C14H9ClF3NO/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)
InChIKeyPOEVBIDWKXMIET-UHFFFAOYSA-N
MW299.68 g/mol
LogP4.12
Rot. Bonds2

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

3-[3-chloro-4-(trifluoromethyl)phenyl]benzamide (PubChem CID 68758024) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is 3-[3-chloro-4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[3-chloro-4-(trifluoromethyl)phenyl]benzamide
PubChem CID68758024
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC Name3-[3-chloro-4-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(C(F)(F)F)c(Cl)c2)c1
InChIInChI=1S/C14H9ClF3NO/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)
InChIKeyPOEVBIDWKXMIET-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 3-[3-chloro-4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[3-chloro-4-(trifluoromethyl)phenyl]benzamide (CID 68758024) is 3-[3-chloro-4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[3-chloro-4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[3-chloro-4-(trifluoromethyl)phenyl]benzamide is NC(=O)c1cccc(-c2ccc(C(F)(F)F)c(Cl)c2)c1.
What is the InChIKey of 3-[3-chloro-4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is POEVBIDWKXMIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO/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-chloro-4-(trifluoromethyl)phenyl]benzamide?
3-[3-chloro-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 3-[3-chloro-4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 68758024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).