N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide

C16H14ClF3N2O — CID 109037972

IUPACN-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
SMILESO=C(CCNc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H14ClF3N2O/c17-12-4-2-6-14(10-12)22-15(23)7-8-21-13-5-1-3-11(9-13)16(18,19)20/h1-6,9-10,21H,7-8H2,(H,22,23)
InChIKeyYEBBPKKWNODARH-UHFFFAOYSA-N
MW342.75 g/mol
LogP4.80
Rot. Bonds5

About N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide

N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide (PubChem CID 109037972) has the molecular formula C16H14ClF3N2O and a molecular weight of 342.75 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
PubChem CID109037972
Molecular FormulaC16H14ClF3N2O
Molecular Weight342.75 g/mol
Exact Mass342.07
IUPAC NameN-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
SMILESO=C(CCNc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H14ClF3N2O/c17-12-4-2-6-14(10-12)22-15(23)7-8-21-13-5-1-3-11(9-13)16(18,19)20/h1-6,9-10,21H,7-8H2,(H,22,23)
InChIKeyYEBBPKKWNODARH-UHFFFAOYSA-N
XLogP4.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.75
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]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-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733
3-(3-chloroanilino)-N-phenylpropanamide
CID 109033817
N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109039094
methyl 3-[[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]amino]benzoate
CID 109040726
4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide
CID 7900650
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109040794
3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100605483
3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109012118
3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109036212
3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109021574
3-(2,5-dichlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 26821529

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide (CID 109037972) is N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide is O=C(CCNc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide?
The InChIKey is YEBBPKKWNODARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O/c17-12-4-2-6-14(10-12)22-15(23)7-8-21-13-5-1-3-11(9-13)16(18,19)20/h1-6,9-10,21H,7-8H2,(H,22,23).
What are the key properties of N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide?
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide has a molecular weight of 342.75 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 109037972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).