3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide

C17H16ClF3N2O — CID 109021889

IUPAC3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNCc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H16ClF3N2O/c18-13-7-5-12(6-8-13)11-22-10-9-16(24)23-15-4-2-1-3-14(15)17(19,20)21/h1-8,22H,9-11H2,(H,23,24)
InChIKeyHAUADGWSOGZQDI-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.48
Rot. Bonds6

About 3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide

3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 109021889) has the molecular formula C17H16ClF3N2O and a molecular weight of 356.78 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID109021889
Molecular FormulaC17H16ClF3N2O
Molecular Weight356.78 g/mol
Exact Mass356.09
IUPAC Name3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNCc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H16ClF3N2O/c18-13-7-5-12(6-8-13)11-22-10-9-16(24)23-15-4-2-1-3-14(15)17(19,20)21/h1-8,22H,9-11H2,(H,23,24)
InChIKeyHAUADGWSOGZQDI-UHFFFAOYSA-N
XLogP4.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide 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

3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19220927
3-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)propanamide
CID 109021863
3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109038453
3-(pyridin-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109023409
3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892
3-[(4-chlorophenyl)methylamino]-N-(2,5-dichlorophenyl)propanamide
CID 109021928
3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 108789991
3-[(4-chlorophenyl)methylamino]-N-(2-phenoxyphenyl)propanamide
CID 109021922
N-benzyl-3-[(4-chlorophenyl)methylamino]propanamide
CID 109018753
3-(5-chloro-2-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109039146
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 109019052

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide (CID 109021889) is 3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide is O=C(CCNCc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HAUADGWSOGZQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O/c18-13-7-5-12(6-8-13)11-22-10-9-16(24)23-15-4-2-1-3-14(15)17(19,20)21/h1-8,22H,9-11H2,(H,23,24).
What are the key properties of 3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide?
3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 356.78 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109021889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).