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

C17H17F3N2O — CID 42695490

IUPAC3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNCc1ccccc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)14-6-8-15(9-7-14)22-16(23)10-11-21-12-13-4-2-1-3-5-13/h1-9,21H,10-12H2,(H,22,23)
InChIKeyRNZFUIHVXCWKLW-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.82
Rot. Bonds6

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

3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 42695490) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID42695490
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNCc1ccccc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)14-6-8-15(9-7-14)22-16(23)10-11-21-12-13-4-2-1-3-5-13/h1-9,21H,10-12H2,(H,22,23)
InChIKeyRNZFUIHVXCWKLW-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(benzylamino)-N-[4-(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-(benzylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 109019052
3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109033349
3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025174
3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109019030
3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109020331
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373
3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025439
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
2-(benzylamino)-N-(4-tert-butylphenyl)acetamide
CID 108996416
N-benzyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 24754485
3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42699567
3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109031832

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide (CID 42695490) is 3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCNCc1ccccc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is RNZFUIHVXCWKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c18-17(19,20)14-6-8-15(9-7-14)22-16(23)10-11-21-12-13-4-2-1-3-5-13/h1-9,21H,10-12H2,(H,22,23).
What are the key properties of 3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide?
3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 322.33 g/mol, XLogP of 3.82, 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-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 42695490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).