4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide

C21H22F3NO2 — CID 52523148

IUPAC4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
SMILESCCC[C@H](NC(=O)CCC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H22F3NO2/c1-2-7-18(16-10-6-11-17(14-16)21(22,23)24)25-20(27)13-12-19(26)15-8-4-3-5-9-15/h3-6,8-11,14,18H,2,7,12-13H2,1H3,(H,25,27)/t18-/m0/s1
InChIKeyXACMKJQNBXBLPJ-SFHVURJKSA-N
MW377.41 g/mol
LogP5.33
Rot. Bonds8

About 4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide

4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide (PubChem CID 52523148) has the molecular formula C21H22F3NO2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
PubChem CID52523148
Molecular FormulaC21H22F3NO2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
SMILESCCC[C@H](NC(=O)CCC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H22F3NO2/c1-2-7-18(16-10-6-11-17(14-16)21(22,23)24)25-20(27)13-12-19(26)15-8-4-3-5-9-15/h3-6,8-11,14,18H,2,7,12-13H2,1H3,(H,25,27)/t18-/m0/s1
InChIKeyXACMKJQNBXBLPJ-SFHVURJKSA-N
XLogP5.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.41
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide
CID 51134582
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide
CID 56823666
3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide
CID 52514675
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591390
(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315290
3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide
CID 52513780
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
N-(4-oxo-1,4-diphenylbutyl)acetamide
CID 13252857
N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide
CID 51181257
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94118050
N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124589498
N-[2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 122155992

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide?
The IUPAC name of 4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide (CID 52523148) is 4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide.
What is the SMILES notation for 4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide?
The canonical SMILES for 4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide is CCC[C@H](NC(=O)CCC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide?
The InChIKey is XACMKJQNBXBLPJ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22F3NO2/c1-2-7-18(16-10-6-11-17(14-16)21(22,23)24)25-20(27)13-12-19(26)15-8-4-3-5-9-15/h3-6,8-11,14,18H,2,7,12-13H2,1H3,(H,25,27)/t18-/m0/s1.
What are the key properties of 4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide?
4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide has a molecular weight of 377.41 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide is sourced from PubChem (CID 52523148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).