3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide

C18H19F3N2O — CID 119949428

IUPAC3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CC(N)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O/c1-12(13-7-9-15(10-8-13)18(19,20)21)23-17(24)11-16(22)14-5-3-2-4-6-14/h2-10,12,16H,11,22H2,1H3,(H,23,24)
InChIKeyDVJFDUAGOBFUST-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.97
Rot. Bonds5

About 3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide

3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 119949428) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID119949428
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CC(N)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O/c1-12(13-7-9-15(10-8-13)18(19,20)21)23-17(24)11-16(22)14-5-3-2-4-6-14/h2-10,12,16H,11,22H2,1H3,(H,23,24)
InChIKeyDVJFDUAGOBFUST-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
(3S)-3-amino-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368235
(3S)-3-amino-3-(4-methylphenyl)-N-[(1R)-1-phenylethyl]propanamide
CID 122368237
3-amino-2-methyl-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119706895
N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119528728
2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 43711973
(3R)-3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 93104023
3-amino-3-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408213
3-bromo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 113385199
2-amino-4-oxo-4-(1-phenylethylamino)butanoic acid
CID 67359772
3-amino-N-[1-(3-fluoro-4-methylsulfonylphenyl)ethyl]-3-phenylpropanamide
CID 119951982
3-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81375536

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide (CID 119949428) is 3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide is CC(NC(=O)CC(N)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is DVJFDUAGOBFUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c1-12(13-7-9-15(10-8-13)18(19,20)21)23-17(24)11-16(22)14-5-3-2-4-6-14/h2-10,12,16H,11,22H2,1H3,(H,23,24).
What are the key properties of 3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 336.36 g/mol, XLogP of 3.97, 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-[4-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 119949428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).