(3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide

C20H19F3N2O3 — CID 97260330

IUPAC(3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide
SMILESO=C(C[C@](O)(c1ccccc1)C(F)(F)F)N[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)19(28,14-7-3-1-4-8-14)13-17(26)24-16-11-12-25(18(16)27)15-9-5-2-6-10-15/h1-10,16,28H,11-13H2,(H,24,26)/t16-,19-/m0/s1
InChIKeyOUGGYMUBQWIXFM-LPHOPBHVSA-N
MW392.38 g/mol
LogP2.75
Rot. Bonds5

About (3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide

(3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide (PubChem CID 97260330) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is (3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide.

Molecular Properties

Compound Name(3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide
PubChem CID97260330
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name(3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide
SMILESO=C(C[C@](O)(c1ccccc1)C(F)(F)F)N[C@H]1CCN(c2ccccc2)C1=O
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)19(28,14-7-3-1-4-8-14)13-17(26)24-16-11-12-25(18(16)27)15-9-5-2-6-10-15/h1-10,16,28H,11-13H2,(H,24,26)/t16-,19-/m0/s1
InChIKeyOUGGYMUBQWIXFM-LPHOPBHVSA-N
XLogP2.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide
CID 97260329
2-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-phenylpropanamide
CID 120592079
2,2-dimethyl-4-oxo-4-[(2-oxo-1-phenylpiperidin-3-yl)amino]butanoic acid
CID 119133851
N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 71839103
(3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide
CID 124725022
3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781200
3-hydroxy-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-phenylbutanamide
CID 110025482
4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781166
3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 120610637
N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-thiophen-3-ylpropanamide
CID 95234437
N-[(3S)-1-(4-iodophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 70340142
1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95051231

Frequently Asked Questions

What is the IUPAC name of (3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide?
The IUPAC name of (3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide (CID 97260330) is (3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide.
What is the SMILES notation for (3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide?
The canonical SMILES for (3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide is O=C(C[C@](O)(c1ccccc1)C(F)(F)F)N[C@H]1CCN(c2ccccc2)C1=O.
What is the InChIKey of (3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide?
The InChIKey is OUGGYMUBQWIXFM-LPHOPBHVSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)19(28,14-7-3-1-4-8-14)13-17(26)24-16-11-12-25(18(16)27)15-9-5-2-6-10-15/h1-10,16,28H,11-13H2,(H,24,26)/t16-,19-/m0/s1.
What are the key properties of (3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide?
(3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide has a molecular weight of 392.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide is sourced from PubChem (CID 97260330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).