3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

C17H16ClF3N2O — CID 109019052

IUPAC3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNCc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N2O/c18-15-7-6-13(10-14(15)17(19,20)21)23-16(24)8-9-22-11-12-4-2-1-3-5-12/h1-7,10,22H,8-9,11H2,(H,23,24)
InChIKeyGPNJPVHVIXGXKZ-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.48
Rot. Bonds6

About 3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide (PubChem CID 109019052) has the molecular formula C17H16ClF3N2O and a molecular weight of 356.78 g/mol. Its IUPAC name is 3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
PubChem CID109019052
Molecular FormulaC17H16ClF3N2O
Molecular Weight356.78 g/mol
Exact Mass356.09
IUPAC Name3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNCc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H16ClF3N2O/c18-15-7-6-13(10-14(15)17(19,20)21)23-16(24)8-9-22-11-12-4-2-1-3-5-12/h1-7,10,22H,8-9,11H2,(H,23,24)
InChIKeyGPNJPVHVIXGXKZ-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

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022550
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023445
N-benzyl-N'-[4-chloro-3-(trifluoromethyl)phenyl]propanediamide
CID 108945335
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 109018886
3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42695490
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pentylamino)propanamide
CID 109032309
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(1-phenylethylamino)propanamide
CID 109020364
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-oxo-3-phenylpropanamide
CID 727661
N-[3-[4-chloro-3-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 33165211
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-cyanopropanamide
CID 94285475
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide (CID 109019052) is 3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide is O=C(CCNCc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is GPNJPVHVIXGXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O/c18-15-7-6-13(10-14(15)17(19,20)21)23-16(24)8-9-22-11-12-4-2-1-3-5-12/h1-7,10,22H,8-9,11H2,(H,23,24).
What are the key properties of 3-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide?
3-(benzylamino)-N-[4-chloro-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-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109019052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).