(2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide

C15H12ClNO2 — CID 139078040

IUPAC(2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1O[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO2/c16-11-6-4-5-10(9-11)13-14(19-13)15(18)17-12-7-2-1-3-8-12/h1-9,13-14H,(H,17,18)/t13-,14-/m1/s1
InChIKeyBPQBDNKAMDQUMZ-ZIAGYGMSSA-N
MW273.72 g/mol
LogP3.42
Rot. Bonds3

About (2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide

(2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide (PubChem CID 139078040) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is (2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide
PubChem CID139078040
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name(2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1O[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C15H12ClNO2/c16-11-6-4-5-10(9-11)13-14(19-13)15(18)17-12-7-2-1-3-8-12/h1-9,13-14H,(H,17,18)/t13-,14-/m1/s1
InChIKeyBPQBDNKAMDQUMZ-ZIAGYGMSSA-N
XLogP3.42
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-chlorophenyl)methyl]-3-phenyloxirane-2-carboxamide
CID 134349573
1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
(2S,3R)-N-(3-chlorophenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7393448
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
(2R,3S)-N-(2-hydroxyphenyl)-3-phenyloxirane-2-carboxamide
CID 45086957
(1S,2R,3S,4R)-3-[(3-chlorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51412176
(1R,2R,3S,4R)-3-[(3-chlorophenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124721168
(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403
N,5-bis(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254883
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide?
The IUPAC name of (2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide (CID 139078040) is (2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide.
What is the SMILES notation for (2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide?
The canonical SMILES for (2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide is O=C(Nc1ccccc1)[C@@H]1O[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of (2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide?
The InChIKey is BPQBDNKAMDQUMZ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H12ClNO2/c16-11-6-4-5-10(9-11)13-14(19-13)15(18)17-12-7-2-1-3-8-12/h1-9,13-14H,(H,17,18)/t13-,14-/m1/s1.
What are the key properties of (2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide?
(2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide has a molecular weight of 273.72 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(3-chlorophenyl)-N-phenyloxirane-2-carboxamide is sourced from PubChem (CID 139078040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).