N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide

C19H21F3N2O — CID 119528728

IUPACN-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)NCC(N)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O/c1-13(14-7-9-16(10-8-14)19(20,21)22)11-18(25)24-12-17(23)15-5-3-2-4-6-15/h2-10,13,17H,11-12,23H2,1H3,(H,24,25)
InChIKeyQOJFUGYKOXIWES-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.02
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide

N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide (PubChem CID 119528728) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
PubChem CID119528728
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC NameN-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)NCC(N)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H21F3N2O/c1-13(14-7-9-16(10-8-14)19(20,21)22)11-18(25)24-12-17(23)15-5-3-2-4-6-15/h2-10,13,17H,11-12,23H2,1H3,(H,24,25)
InChIKeyQOJFUGYKOXIWES-UHFFFAOYSA-N
XLogP4.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-phenylethyl)-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119527909
3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119949428
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide
CID 63833481
(3R)-N-(4-amino-4-oxobutyl)-3-[4-(trifluoromethyl)phenyl]butanamide
CID 94676198
N-(2-amino-2-phenylethyl)-3,4-dimethylpentanamide;hydrochloride
CID 119529641
N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42910697
3-[3-[4-(trifluoromethyl)phenyl]butanoylamino]butanoic acid
CID 119221603
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
CID 119529676
2-phenyl-3-(3-phenylbutanoylamino)propanoic acid
CID 119254594
N-(3-aminobutyl)-3-phenylbutanamide
CID 119496736

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide (CID 119528728) is N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide is CC(CC(=O)NCC(N)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide?
The InChIKey is QOJFUGYKOXIWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O/c1-13(14-7-9-16(10-8-14)19(20,21)22)11-18(25)24-12-17(23)15-5-3-2-4-6-15/h2-10,13,17H,11-12,23H2,1H3,(H,24,25).
What are the key properties of N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide?
N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide has a molecular weight of 350.38 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-[4-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 119528728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).