(3R,4S)-4-(4-fluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]oxolane-3-carboxamide

C18H13F4NO3 — CID 157022192

IUPAC(3R,4S)-4-(4-fluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]oxolane-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)[C@@H]1C(=O)OC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C18H13F4NO3/c19-11-7-5-10(6-8-11)12-9-26-17(25)15(12)16(24)23-14-4-2-1-3-13(14)18(20,21)22/h1-8,12,15H,9H2,(H,23,24)/t12-,15-/m1/s1
InChIKeyAYSWNGOMZZJTHG-IUODEOHRSA-N
MW367.30 g/mol
LogP3.74
Rot. Bonds3

About (3R,4S)-4-(4-fluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]oxolane-3-carboxamide

(3R,4S)-4-(4-fluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]oxolane-3-carboxamide (PubChem CID 157022192) has the molecular formula C18H13F4NO3 and a molecular weight of 367.30 g/mol. Its IUPAC name is (3R,4S)-4-(4-fluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-(4-fluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]oxolane-3-carboxamide
PubChem CID157022192
Molecular FormulaC18H13F4NO3
Molecular Weight367.30 g/mol
Exact Mass367.08
IUPAC Name(3R,4S)-4-(4-fluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]oxolane-3-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)[C@@H]1C(=O)OC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C18H13F4NO3/c19-11-7-5-10(6-8-11)12-9-26-17(25)15(12)16(24)23-14-4-2-1-3-13(14)18(20,21)22/h1-8,12,15H,9H2,(H,23,24)/t12-,15-/m1/s1
InChIKeyAYSWNGOMZZJTHG-IUODEOHRSA-N
XLogP3.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-fluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of (3R,4S)-4-(4-fluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]oxolane-3-carboxamide (CID 157022192) is (3R,4S)-4-(4-fluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-(4-fluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for (3R,4S)-4-(4-fluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]oxolane-3-carboxamide is O=C(Nc1ccccc1C(F)(F)F)[C@@H]1C(=O)OC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (3R,4S)-4-(4-fluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The InChIKey is AYSWNGOMZZJTHG-IUODEOHRSA-N. The full InChI is InChI=1S/C18H13F4NO3/c19-11-7-5-10(6-8-11)12-9-26-17(25)15(12)16(24)23-14-4-2-1-3-13(14)18(20,21)22/h1-8,12,15H,9H2,(H,23,24)/t12-,15-/m1/s1.
What are the key properties of (3R,4S)-4-(4-fluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
(3R,4S)-4-(4-fluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]oxolane-3-carboxamide has a molecular weight of 367.30 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-fluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 157022192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).