(2R,3S)-2-N-(3-chlorophenyl)oxirane-2,3-dicarboxamide

C10H9ClN2O3 — CID 118736262

IUPAC(2R,3S)-2-N-(3-chlorophenyl)oxirane-2,3-dicarboxamide
SMILESNC(=O)[C@H]1O[C@H]1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C10H9ClN2O3/c11-5-2-1-3-6(4-5)13-10(15)8-7(16-8)9(12)14/h1-4,7-8H,(H2,12,14)(H,13,15)/t7-,8+/m0/s1
InChIKeyMBWCZMOHXUQUNT-JGVFFNPUSA-N
MW240.65 g/mol
LogP0.53
Rot. Bonds3

About (2R,3S)-2-N-(3-chlorophenyl)oxirane-2,3-dicarboxamide

(2R,3S)-2-N-(3-chlorophenyl)oxirane-2,3-dicarboxamide (PubChem CID 118736262) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is (2R,3S)-2-N-(3-chlorophenyl)oxirane-2,3-dicarboxamide.

Molecular Properties

Compound Name(2R,3S)-2-N-(3-chlorophenyl)oxirane-2,3-dicarboxamide
PubChem CID118736262
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name(2R,3S)-2-N-(3-chlorophenyl)oxirane-2,3-dicarboxamide
SMILESNC(=O)[C@H]1O[C@H]1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C10H9ClN2O3/c11-5-2-1-3-6(4-5)13-10(15)8-7(16-8)9(12)14/h1-4,7-8H,(H2,12,14)(H,13,15)/t7-,8+/m0/s1
InChIKeyMBWCZMOHXUQUNT-JGVFFNPUSA-N
XLogP0.53
TPSA84.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-N-(3-chlorophenyl)oxirane-2,3-dicarboxamide?
The IUPAC name of (2R,3S)-2-N-(3-chlorophenyl)oxirane-2,3-dicarboxamide (CID 118736262) is (2R,3S)-2-N-(3-chlorophenyl)oxirane-2,3-dicarboxamide.
What is the SMILES notation for (2R,3S)-2-N-(3-chlorophenyl)oxirane-2,3-dicarboxamide?
The canonical SMILES for (2R,3S)-2-N-(3-chlorophenyl)oxirane-2,3-dicarboxamide is NC(=O)[C@H]1O[C@H]1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (2R,3S)-2-N-(3-chlorophenyl)oxirane-2,3-dicarboxamide?
The InChIKey is MBWCZMOHXUQUNT-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c11-5-2-1-3-6(4-5)13-10(15)8-7(16-8)9(12)14/h1-4,7-8H,(H2,12,14)(H,13,15)/t7-,8+/m0/s1.
What are the key properties of (2R,3S)-2-N-(3-chlorophenyl)oxirane-2,3-dicarboxamide?
(2R,3S)-2-N-(3-chlorophenyl)oxirane-2,3-dicarboxamide has a molecular weight of 240.65 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-N-(3-chlorophenyl)oxirane-2,3-dicarboxamide is sourced from PubChem (CID 118736262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).