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

C18H18ClF3N2O — CID 109033349

IUPAC3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNCCc1cccc(Cl)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18ClF3N2O/c19-15-3-1-2-13(12-15)8-10-23-11-9-17(25)24-16-6-4-14(5-7-16)18(20,21)22/h1-7,12,23H,8-11H2,(H,24,25)
InChIKeyHCWSOMXPUWHVHI-UHFFFAOYSA-N
MW370.80 g/mol
LogP4.52
Rot. Bonds7

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

3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 109033349) has the molecular formula C18H18ClF3N2O and a molecular weight of 370.80 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID109033349
Molecular FormulaC18H18ClF3N2O
Molecular Weight370.80 g/mol
Exact Mass370.11
IUPAC Name3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCNCCc1cccc(Cl)c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H18ClF3N2O/c19-15-3-1-2-13(12-15)8-10-23-11-9-17(25)24-16-6-4-14(5-7-16)18(20,21)22/h1-7,12,23H,8-11H2,(H,24,25)
InChIKeyHCWSOMXPUWHVHI-UHFFFAOYSA-N
XLogP4.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(3-chlorophenyl)ethylamino]-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-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025174
3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42695490
N-(2-chlorophenyl)-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109033323
N-tert-butyl-3-[2-(3-chlorophenyl)ethylamino]propanamide
CID 109031314
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
CID 109006756
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
2-[(3-chlorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1057516
N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide
CID 1407353
3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025439
3-[2-(3-chlorophenyl)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109033314
3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
CID 109032115

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 109033349) is 3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCNCCc1cccc(Cl)c1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is HCWSOMXPUWHVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O/c19-15-3-1-2-13(12-15)8-10-23-11-9-17(25)24-16-6-4-14(5-7-16)18(20,21)22/h1-7,12,23H,8-11H2,(H,24,25).
What are the key properties of 3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 370.80 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109033349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).