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

C19H21F3N2O2 — CID 109025439

IUPAC3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccccc1CCNCCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O2/c1-26-17-5-3-2-4-14(17)10-12-23-13-11-18(25)24-16-8-6-15(7-9-16)19(20,21)22/h2-9,23H,10-13H2,1H3,(H,24,25)
InChIKeyLOEPPVLTIMEDNY-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.87
Rot. Bonds8

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

3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 109025439) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID109025439
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOc1ccccc1CCNCCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O2/c1-26-17-5-3-2-4-14(17)10-12-23-13-11-18(25)24-16-8-6-15(7-9-16)19(20,21)22/h2-9,23H,10-13H2,1H3,(H,24,25)
InChIKeyLOEPPVLTIMEDNY-UHFFFAOYSA-N
XLogP3.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025396
N-(3-bromophenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025458
N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109039356
3-[2-(4-fluorophenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025174
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-methoxybenzoate
CID 7485742
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 8510041
N-[(2-fluorophenyl)methyl]-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109020694
3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42695490
3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 24725798
N-(2,4-dimethylphenyl)-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109025394
2-(4-fluorophenyl)-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]acetamide
CID 112983523

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 109025439) is 3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide is COc1ccccc1CCNCCC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is LOEPPVLTIMEDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-26-17-5-3-2-4-14(17)10-12-23-13-11-18(25)24-16-8-6-15(7-9-16)19(20,21)22/h2-9,23H,10-13H2,1H3,(H,24,25).
What are the key properties of 3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 366.38 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109025439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).