(3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide

C15H18F3NO3 — CID 124725022

IUPAC(3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide
SMILESO=C(C[C@](O)(c1ccccc1)C(F)(F)F)N[C@H]1CCC[C@H]1O
InChIInChI=1S/C15H18F3NO3/c16-15(17,18)14(22,10-5-2-1-3-6-10)9-13(21)19-11-7-4-8-12(11)20/h1-3,5-6,11-12,20,22H,4,7-9H2,(H,19,21)/t11-,12+,14-/m0/s1
InChIKeyAVXXHVTWMYDUBV-SCRDCRAPSA-N
MW317.31 g/mol
LogP1.86
Rot. Bonds4

About (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide

(3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide (PubChem CID 124725022) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide.

Molecular Properties

Compound Name(3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide
PubChem CID124725022
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name(3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide
SMILESO=C(C[C@](O)(c1ccccc1)C(F)(F)F)N[C@H]1CCC[C@H]1O
InChIInChI=1S/C15H18F3NO3/c16-15(17,18)14(22,10-5-2-1-3-6-10)9-13(21)19-11-7-4-8-12(11)20/h1-3,5-6,11-12,20,22H,4,7-9H2,(H,19,21)/t11-,12+,14-/m0/s1
InChIKeyAVXXHVTWMYDUBV-SCRDCRAPSA-N
XLogP1.86
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide
CID 97260330
(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide
CID 97260329
N-ethyl-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
CID 170020626
N-(2-hydroxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62366302
2-bromo-N-(2-hydroxycyclopentyl)acetamide
CID 127002056
3-amino-N-(2-hydroxycyclohexyl)-3-methylbutanamide
CID 64677641
2-benzylsulfanyl-N-(2-hydroxycyclohexyl)acetamide
CID 62366139
(3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
CID 97339946
N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 62358678
N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 36691439
1-amino-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclopropane-1-carboxamide
CID 119769244
2-(tritylamino)-N-[(1S,2S)-2-[[2-(tritylamino)acetyl]amino]cyclohexyl]acetamide
CID 96582243

Frequently Asked Questions

What is the IUPAC name of (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide?
The IUPAC name of (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide (CID 124725022) is (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide.
What is the SMILES notation for (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide?
The canonical SMILES for (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide is O=C(C[C@](O)(c1ccccc1)C(F)(F)F)N[C@H]1CCC[C@H]1O.
What is the InChIKey of (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide?
The InChIKey is AVXXHVTWMYDUBV-SCRDCRAPSA-N. The full InChI is InChI=1S/C15H18F3NO3/c16-15(17,18)14(22,10-5-2-1-3-6-10)9-13(21)19-11-7-4-8-12(11)20/h1-3,5-6,11-12,20,22H,4,7-9H2,(H,19,21)/t11-,12+,14-/m0/s1.
What are the key properties of (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide?
(3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide has a molecular weight of 317.31 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 (3S)-4,4,4-trifluoro-3-hydroxy-N-[(1S,2R)-2-hydroxycyclopentyl]-3-phenylbutanamide is sourced from PubChem (CID 124725022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).