3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride

C18H20ClF3N2O — CID 119948966

IUPAC3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)CC(N)c1ccccc1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C18H19F3N2O.ClH/c1-12(14-8-5-9-15(10-14)18(19,20)21)23-17(24)11-16(22)13-6-3-2-4-7-13;/h2-10,12,16H,11,22H2,1H3,(H,23,24);1H
InChIKeyMANWEXVZGQKNCN-UHFFFAOYSA-N
MW372.82 g/mol
LogP4.39
Rot. Bonds5

About 3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride

3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride (PubChem CID 119948966) has the molecular formula C18H20ClF3N2O and a molecular weight of 372.82 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
PubChem CID119948966
Molecular FormulaC18H20ClF3N2O
Molecular Weight372.82 g/mol
Exact Mass372.12
IUPAC Name3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
SMILESCC(NC(=O)CC(N)c1ccccc1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C18H19F3N2O.ClH/c1-12(14-8-5-9-15(10-14)18(19,20)21)23-17(24)11-16(22)13-6-3-2-4-7-13;/h2-10,12,16H,11,22H2,1H3,(H,23,24);1H
InChIKeyMANWEXVZGQKNCN-UHFFFAOYSA-N
XLogP4.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.82
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119949428
3-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949773
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 120587065
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]ethyl]sulfanylacetic acid
CID 115575103
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate
CID 29059445
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951139
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973
2-(2-chlorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42907102
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride (CID 119948966) is 3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride is CC(NC(=O)CC(N)c1ccccc1)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride?
The InChIKey is MANWEXVZGQKNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O.ClH/c1-12(14-8-5-9-15(10-14)18(19,20)21)23-17(24)11-16(22)13-6-3-2-4-7-13;/h2-10,12,16H,11,22H2,1H3,(H,23,24);1H.
What are the key properties of 3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride?
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride has a molecular weight of 372.82 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119948966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).