2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide

C13H14ClF3N2O — CID 43082548

IUPAC2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
SMILESCC(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1CC1
InChIInChI=1S/C13H14ClF3N2O/c1-7(12(20)19-8-2-3-8)18-9-4-5-11(14)10(6-9)13(15,16)17/h4-8,18H,2-3H2,1H3,(H,19,20)
InChIKeyLSPAVMLPQJLDPL-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.44
Rot. Bonds4

About 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide

2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide (PubChem CID 43082548) has the molecular formula C13H14ClF3N2O and a molecular weight of 306.72 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
PubChem CID43082548
Molecular FormulaC13H14ClF3N2O
Molecular Weight306.72 g/mol
Exact Mass306.07
IUPAC Name2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
SMILESCC(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1CC1
InChIInChI=1S/C13H14ClF3N2O/c1-7(12(20)19-8-2-3-8)18-9-4-5-11(14)10(6-9)13(15,16)17/h4-8,18H,2-3H2,1H3,(H,19,20)
InChIKeyLSPAVMLPQJLDPL-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 43243123
2-(3-chloro-4-fluoroanilino)-N-cyclohexylpropanamide
CID 78907261
4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 21043795
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
(2S)-2-(3,4-dichloroanilino)-N-(5-oxooxolan-3-yl)propanamide
CID 10193267
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
N-cyclopropyl-2-(4-iodoanilino)propanamide
CID 43086001
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide
CID 108504354
2-(3-chloro-4-cyanoanilino)-N-cyclopentylpropanamide
CID 43168430
4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63423296
2-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 43245822

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide (CID 43082548) is 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide is CC(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1CC1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide?
The InChIKey is LSPAVMLPQJLDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O/c1-7(12(20)19-8-2-3-8)18-9-4-5-11(14)10(6-9)13(15,16)17/h4-8,18H,2-3H2,1H3,(H,19,20).
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide?
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide has a molecular weight of 306.72 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide is sourced from PubChem (CID 43082548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).