3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride

C20H24ClF3N2O — CID 120610313

IUPAC3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
SMILESCC(C)C(NC(=O)CCc1ccccc1N)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C20H23F3N2O.ClH/c1-13(2)19(15-7-5-8-16(12-15)20(21,22)23)25-18(26)11-10-14-6-3-4-9-17(14)24;/h3-9,12-13,19H,10-11,24H2,1-2H3,(H,25,26);1H
InChIKeyABZGJCHNHRAUIB-UHFFFAOYSA-N
MW400.87 g/mol
LogP5.16
Rot. Bonds6

About 3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride (PubChem CID 120610313) has the molecular formula C20H24ClF3N2O and a molecular weight of 400.87 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
PubChem CID120610313
Molecular FormulaC20H24ClF3N2O
Molecular Weight400.87 g/mol
Exact Mass400.15
IUPAC Name3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
SMILESCC(C)C(NC(=O)CCc1ccccc1N)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C20H23F3N2O.ClH/c1-13(2)19(15-7-5-8-16(12-15)20(21,22)23)25-18(26)11-10-14-6-3-4-9-17(14)24;/h3-9,12-13,19H,10-11,24H2,1-2H3,(H,25,26);1H
InChIKeyABZGJCHNHRAUIB-UHFFFAOYSA-N
XLogP5.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.87
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
CID 120562077
3-(2-aminophenyl)-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]propanamide
CID 120608398
3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 120611042
(2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide
CID 124849209
3-(2-aminophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 107273207
4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
CID 120562152
3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride
CID 120609837
2-[3-(2-aminophenyl)propanoylamino]-3-methylbutanamide
CID 107329581
N-[1-(3-acetamidophenyl)ethyl]-3-(2-aminophenyl)propanamide
CID 120608696
3-[3-(2-aminophenyl)propanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54795446
3-(2-aminophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273267
3-(2-aminophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 107273266

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride (CID 120610313) is 3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride is CC(C)C(NC(=O)CCc1ccccc1N)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride?
The InChIKey is ABZGJCHNHRAUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O.ClH/c1-13(2)19(15-7-5-8-16(12-15)20(21,22)23)25-18(26)11-10-14-6-3-4-9-17(14)24;/h3-9,12-13,19H,10-11,24H2,1-2H3,(H,25,26);1H.
What are the key properties of 3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride has a molecular weight of 400.87 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride is sourced from PubChem (CID 120610313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).