(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide

C14H16F3N3O3 — CID 94799953

IUPAC(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
SMILESC[C@@](O)(CC(=O)Nc1cccc(N2CCNC2=O)c1)C(F)(F)F
InChIInChI=1S/C14H16F3N3O3/c1-13(23,14(15,16)17)8-11(21)19-9-3-2-4-10(7-9)20-6-5-18-12(20)22/h2-4,7,23H,5-6,8H2,1H3,(H,18,22)(H,19,21)/t13-/m1/s1
InChIKeyWSZIXEXDBBUATH-CYBMUJFWSA-N
MW331.29 g/mol
LogP1.86
Rot. Bonds4

About (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide

(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide (PubChem CID 94799953) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
PubChem CID94799953
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
SMILESC[C@@](O)(CC(=O)Nc1cccc(N2CCNC2=O)c1)C(F)(F)F
InChIInChI=1S/C14H16F3N3O3/c1-13(23,14(15,16)17)8-11(21)19-9-3-2-4-10(7-9)20-6-5-18-12(20)22/h2-4,7,23H,5-6,8H2,1H3,(H,18,22)(H,19,21)/t13-/m1/s1
InChIKeyWSZIXEXDBBUATH-CYBMUJFWSA-N
XLogP1.86
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The IUPAC name of (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide (CID 94799953) is (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide.
What is the SMILES notation for (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The canonical SMILES for (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide is C[C@@](O)(CC(=O)Nc1cccc(N2CCNC2=O)c1)C(F)(F)F.
What is the InChIKey of (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
The InChIKey is WSZIXEXDBBUATH-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-13(23,14(15,16)17)8-11(21)19-9-3-2-4-10(7-9)20-6-5-18-12(20)22/h2-4,7,23H,5-6,8H2,1H3,(H,18,22)(H,19,21)/t13-/m1/s1.
What are the key properties of (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide?
(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide has a molecular weight of 331.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 94799953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).