2-chloro-N-ethyl-6-(trifluoromethyl)benzamide

C10H9ClF3NO — CID 123341300

IUPAC2-chloro-N-ethyl-6-(trifluoromethyl)benzamide
SMILESCCNC(=O)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C10H9ClF3NO/c1-2-15-9(16)8-6(10(12,13)14)4-3-5-7(8)11/h3-5H,2H2,1H3,(H,15,16)
InChIKeyLQELVPLYHBSNAY-UHFFFAOYSA-N
MW251.63 g/mol
LogP3.11
Rot. Bonds2

About 2-chloro-N-ethyl-6-(trifluoromethyl)benzamide

2-chloro-N-ethyl-6-(trifluoromethyl)benzamide (PubChem CID 123341300) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is 2-chloro-N-ethyl-6-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-6-(trifluoromethyl)benzamide
PubChem CID123341300
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC Name2-chloro-N-ethyl-6-(trifluoromethyl)benzamide
SMILESCCNC(=O)c1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C10H9ClF3NO/c1-2-15-9(16)8-6(10(12,13)14)4-3-5-7(8)11/h3-5H,2H2,1H3,(H,15,16)
InChIKeyLQELVPLYHBSNAY-UHFFFAOYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-ethyl-6-[ethyl(dimethyl)silyl]benzamide
CID 18630286
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
2-[[(2,6-dichlorobenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 115429500
1-[2-ethyl-6-(trifluoromethyl)phenyl]ethanone
CID 149400336
N-but-2-ynyl-2,6-dichlorobenzamide
CID 143542112
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
CID 83405796
N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 172648766
2,6-dichloro-N-(2,2-diethoxyethyl)benzamide
CID 79547463
4-[[4-chloro-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-ethylbenzamide
CID 146252488
N-tert-butyl-2,6-dichlorobenzamide
CID 690474
2-amino-6-chloro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 114168954

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-6-(trifluoromethyl)benzamide?
The IUPAC name of 2-chloro-N-ethyl-6-(trifluoromethyl)benzamide (CID 123341300) is 2-chloro-N-ethyl-6-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-6-(trifluoromethyl)benzamide?
The canonical SMILES for 2-chloro-N-ethyl-6-(trifluoromethyl)benzamide is CCNC(=O)c1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-ethyl-6-(trifluoromethyl)benzamide?
The InChIKey is LQELVPLYHBSNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c1-2-15-9(16)8-6(10(12,13)14)4-3-5-7(8)11/h3-5H,2H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-ethyl-6-(trifluoromethyl)benzamide?
2-chloro-N-ethyl-6-(trifluoromethyl)benzamide has a molecular weight of 251.63 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-6-(trifluoromethyl)benzamide is sourced from PubChem (CID 123341300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).