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

C17H16ClF3N2O — CID 109021574

IUPAC3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNCc1ccccc1Cl)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N2O/c18-15-7-2-1-4-12(15)11-22-9-8-16(24)23-14-6-3-5-13(10-14)17(19,20)21/h1-7,10,22H,8-9,11H2,(H,23,24)
InChIKeyYISXYKPGLUGIAS-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.48
Rot. Bonds6

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

3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 109021574) has the molecular formula C17H16ClF3N2O and a molecular weight of 356.78 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID109021574
Molecular FormulaC17H16ClF3N2O
Molecular Weight356.78 g/mol
Exact Mass356.09
IUPAC Name3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNCc1ccccc1Cl)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N2O/c18-15-7-2-1-4-12(15)11-22-9-8-16(24)23-14-6-3-5-13(10-14)17(19,20)21/h1-7,10,22H,8-9,11H2,(H,23,24)
InChIKeyYISXYKPGLUGIAS-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'}

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Related Compounds

3-[[2-(2-chlorophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 18289509
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
3-(prop-2-enylamino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109012118
3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 109021615
3-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844505
3-(2-ethylanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109036212
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide
CID 109021533
N-(4-acetamidophenyl)-3-[(2-chlorophenyl)methylamino]propanamide
CID 109021579
3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100605483
4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide
CID 7900650
3-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109040733

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide (CID 109021574) is 3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide is O=C(CCNCc1ccccc1Cl)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is YISXYKPGLUGIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O/c18-15-7-2-1-4-12(15)11-22-9-8-16(24)23-14-6-3-5-13(10-14)17(19,20)21/h1-7,10,22H,8-9,11H2,(H,23,24).
What are the key properties of 3-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide?
3-[(2-chlorophenyl)methylamino]-N-[3-(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-[(2-chlorophenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109021574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).