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

C14H16ClF3N2O — CID 61488089

IUPAC2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CNc1ccc(Cl)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H16ClF3N2O/c1-2-20(10-4-5-10)13(21)8-19-9-3-6-12(15)11(7-9)14(16,17)18/h3,6-7,10,19H,2,4-5,8H2,1H3
InChIKeyWUPXOHMZXGXHQZ-UHFFFAOYSA-N
MW320.74 g/mol
LogP3.78
Rot. Bonds5

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

2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide (PubChem CID 61488089) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide
PubChem CID61488089
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC Name2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CNc1ccc(Cl)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C14H16ClF3N2O/c1-2-20(10-4-5-10)13(21)8-19-9-3-6-12(15)11(7-9)14(16,17)18/h3,6-7,10,19H,2,4-5,8H2,1H3
InChIKeyWUPXOHMZXGXHQZ-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide
CID 65475664
N-cyclopropyl-2-(2,5-dichloro-4-methylanilino)-N-ethylacetamide
CID 115755804
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-ethylphenyl)acetamide
CID 109007711
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009821
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide
CID 26438653
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dimethylanilino)acetamide
CID 109007487
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136418
N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 54940880
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60646948
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
4-[4-chloro-3-(trifluoromethyl)anilino]-N-methylbutanamide
CID 63892047
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide
CID 60638343

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide (CID 61488089) is 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CNc1ccc(Cl)c(C(F)(F)F)c1)C1CC1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is WUPXOHMZXGXHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c1-2-20(10-4-5-10)13(21)8-19-9-3-6-12(15)11(7-9)14(16,17)18/h3,6-7,10,19H,2,4-5,8H2,1H3.
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide?
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 320.74 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 61488089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).