5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide

C14H9ClF3NO — CID 118822797

IUPAC5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cc(Cl)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF3NO/c15-10-4-5-11(12(7-10)13(19)20)8-2-1-3-9(6-8)14(16,17)18/h1-7H,(H2,19,20)
InChIKeyBROGSPWEKCUHSK-UHFFFAOYSA-N
MW299.68 g/mol
LogP4.12
Rot. Bonds2

About 5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide

5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 118822797) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is 5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID118822797
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC Name5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cc(Cl)ccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9ClF3NO/c15-10-4-5-11(12(7-10)13(19)20)8-2-1-3-9(6-8)14(16,17)18/h1-7H,(H2,19,20)
InChIKeyBROGSPWEKCUHSK-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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Related Compounds

5-amino-2-[3-(trifluoromethyl)phenyl]benzamide
CID 174888951
5-chloro-2-[3-(trifluoromethoxy)phenyl]benzamide
CID 134627963
5-chloro-2-[3-(trifluoromethyl)phenyl]aniline
CID 79018103
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
CID 173180452
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 118851557
1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050
3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide
CID 172648845
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944
4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde
CID 79018280
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
3-fluoro-4-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 134620216
4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 52984137

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide (CID 118822797) is 5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide is NC(=O)c1cc(Cl)ccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is BROGSPWEKCUHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c15-10-4-5-11(12(7-10)13(19)20)8-2-1-3-9(6-8)14(16,17)18/h1-7H,(H2,19,20).
What are the key properties of 5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide?
5-chloro-2-[3-(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 5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 118822797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).