2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide

C11H12ClF3N2O — CID 115570006

IUPAC2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1ccccc1Cl)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H12ClF3N2O/c1-7(10(18)16-6-11(13,14)15)17-9-5-3-2-4-8(9)12/h2-5,7,17H,6H2,1H3,(H,16,18)
InChIKeyYTAIEIZJXJCRNH-UHFFFAOYSA-N
MW280.68 g/mol
LogP2.82
Rot. Bonds4

About 2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide

2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 115570006) has the molecular formula C11H12ClF3N2O and a molecular weight of 280.68 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID115570006
Molecular FormulaC11H12ClF3N2O
Molecular Weight280.68 g/mol
Exact Mass280.06
IUPAC Name2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(Nc1ccccc1Cl)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H12ClF3N2O/c1-7(10(18)16-6-11(13,14)15)17-9-5-3-2-4-8(9)12/h2-5,7,17H,6H2,1H3,(H,16,18)
InChIKeyYTAIEIZJXJCRNH-UHFFFAOYSA-N
XLogP2.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.68
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluoroanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115570045
2-(2-chloroanilino)-N-prop-2-ynylpropanamide
CID 43113364
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
(2R)-2-[[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97088122
(2S)-2-[[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97088120
N-(2-methylpropyl)-2-[2-(trifluoromethyl)anilino]propanamide
CID 43088640
(2S)-2-[(2-chloro-6-phenylpyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 89284882
(2R)-2-[[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 99616440
(2R)-2-(3,5-dimethylanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 39912363
2-(3-chloro-2-methylanilino)-N-(2-methylpropyl)propanamide
CID 43086912
2-(5-bromo-2-methoxyanilino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115588198
2-[3-(hydroxymethyl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 110877911

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide (CID 115570006) is 2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide is CC(Nc1ccccc1Cl)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is YTAIEIZJXJCRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O/c1-7(10(18)16-6-11(13,14)15)17-9-5-3-2-4-8(9)12/h2-5,7,17H,6H2,1H3,(H,16,18).
What are the key properties of 2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide?
2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 280.68 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 115570006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).