5-chloro-2-fluoro-4-(trifluoromethyl)benzamide

C8H4ClF4NO — CID 168990948

IUPAC5-chloro-2-fluoro-4-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(Cl)c(C(F)(F)F)cc1F
InChIInChI=1S/C8H4ClF4NO/c9-5-1-3(7(14)15)6(10)2-4(5)8(11,12)13/h1-2H,(H2,14,15)
InChIKeyWFATXIKJHWUIOH-UHFFFAOYSA-N
MW241.57 g/mol
LogP2.60
Rot. Bonds1

About 5-chloro-2-fluoro-4-(trifluoromethyl)benzamide

5-chloro-2-fluoro-4-(trifluoromethyl)benzamide (PubChem CID 168990948) has the molecular formula C8H4ClF4NO and a molecular weight of 241.57 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-(trifluoromethyl)benzamide
PubChem CID168990948
Molecular FormulaC8H4ClF4NO
Molecular Weight241.57 g/mol
Exact Mass240.99
IUPAC Name5-chloro-2-fluoro-4-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(Cl)c(C(F)(F)F)cc1F
InChIInChI=1S/C8H4ClF4NO/c9-5-1-3(7(14)15)6(10)2-4(5)8(11,12)13/h1-2H,(H2,14,15)
InChIKeyWFATXIKJHWUIOH-UHFFFAOYSA-N
XLogP2.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.57
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-methoxy-4-(trifluoromethyl)benzamide
CID 171007477
4-chloro-2-(trifluoromethyl)benzamide;dihydrochloride
CID 22563807
5-amino-2-chloro-4-(trifluoromethyl)benzamide
CID 131460554
5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide
CID 170632931
4-amino-5-fluoro-2-(trifluoromethyl)benzamide
CID 118823151
(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971329
5-chloro-4-[1-[3-chloro-4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2-fluorobenzamide
CID 145132178
5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide
CID 175813709
[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 171009321
1-[2,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 119002578
1-[2-bromo-5-chloro-4-(trifluoromethyl)phenyl]ethanone
CID 121227611
4-chloro-5-fluoro-2-(trifluoromethyl)benzoyl chloride
CID 171009076

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-(trifluoromethyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-4-(trifluoromethyl)benzamide (CID 168990948) is 5-chloro-2-fluoro-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-4-(trifluoromethyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-4-(trifluoromethyl)benzamide is NC(=O)c1cc(Cl)c(C(F)(F)F)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-4-(trifluoromethyl)benzamide?
The InChIKey is WFATXIKJHWUIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF4NO/c9-5-1-3(7(14)15)6(10)2-4(5)8(11,12)13/h1-2H,(H2,14,15).
What are the key properties of 5-chloro-2-fluoro-4-(trifluoromethyl)benzamide?
5-chloro-2-fluoro-4-(trifluoromethyl)benzamide has a molecular weight of 241.57 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 168990948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).