(2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide

C17H14ClNO3 — CID 7301249

IUPAC(2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide
SMILESO=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C17H14ClNO3/c18-12-6-8-13(9-7-12)19-17(21)14-10-15(20)22-16(14)11-4-2-1-3-5-11/h1-9,14,16H,10H2,(H,19,21)/t14-,16+/m0/s1
InChIKeyGFNYGSJTVOPVCO-GOEBONIOSA-N
MW315.76 g/mol
LogP3.58
Rot. Bonds3

About (2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide

(2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide (PubChem CID 7301249) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is (2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide
PubChem CID7301249
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name(2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide
SMILESO=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C17H14ClNO3/c18-12-6-8-13(9-7-12)19-17(21)14-10-15(20)22-16(14)11-4-2-1-3-5-11/h1-9,14,16H,10H2,(H,19,21)/t14-,16+/m0/s1
InChIKeyGFNYGSJTVOPVCO-GOEBONIOSA-N
XLogP3.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2R,3R)-5-oxo-2-phenyloxolane-3-carbonyl]amino]benzoic acid
CID 845236
N-(4-bromophenyl)-5-oxo-2-phenyloxolane-3-carboxamide
CID 2827348
(2R,3S)-N-(4-ethoxyphenyl)-5-oxo-2-phenyloxolane-3-carboxamide
CID 975811
(2R,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid
CID 97034925
(2S,3R)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxylic acid
CID 97034924
3-[[(2S,3R)-5-oxo-2-phenyloxolane-3-carbonyl]amino]benzoate
CID 6957873
(2S,3S)-5-oxo-2-phenyloxolane-3-carboxylic acid
CID 825874
(2S,3S)-N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)-5-oxooxolane-3-carboxamide
CID 70841676
N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651157
N-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 3921971
N-(4-chlorophenyl)-2,5-dioxo-4-phenylpyrrolidine-3-carboxamide
CID 139509999
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide (CID 7301249) is (2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide is O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of (2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide?
The InChIKey is GFNYGSJTVOPVCO-GOEBONIOSA-N. The full InChI is InChI=1S/C17H14ClNO3/c18-12-6-8-13(9-7-12)19-17(21)14-10-15(20)22-16(14)11-4-2-1-3-5-11/h1-9,14,16H,10H2,(H,19,21)/t14-,16+/m0/s1.
What are the key properties of (2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide?
(2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide has a molecular weight of 315.76 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(4-chlorophenyl)-5-oxo-2-phenyloxolane-3-carboxamide is sourced from PubChem (CID 7301249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).