(3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

C17H13Cl2N3O4 — CID 124529112

IUPAC(3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H13Cl2N3O4/c18-13-2-1-3-14(16(13)19)21-9-10(8-15(21)23)17(24)20-11-4-6-12(7-5-11)22(25)26/h1-7,10H,8-9H2,(H,20,24)/t10-/m1/s1
InChIKeyIQULYZCHPIAJAO-SNVBAGLBSA-N
MW394.21 g/mol
LogP3.89
Rot. Bonds4

About (3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 124529112) has the molecular formula C17H13Cl2N3O4 and a molecular weight of 394.21 g/mol. Its IUPAC name is (3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID124529112
Molecular FormulaC17H13Cl2N3O4
Molecular Weight394.21 g/mol
Exact Mass393.03
IUPAC Name(3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H13Cl2N3O4/c18-13-2-1-3-14(16(13)19)21-9-10(8-15(21)23)17(24)20-11-4-6-12(7-5-11)22(25)26/h1-7,10H,8-9H2,(H,20,24)/t10-/m1/s1
InChIKeyIQULYZCHPIAJAO-SNVBAGLBSA-N
XLogP3.89
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191372
(3S)-1-(2,3-dichlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529079
4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056533
1-(2,3-dichlorophenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113191387
(3S)-1-(4-chlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7160854
(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7325425
(3R)-1-(2,3-dichlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529134
(3S)-N-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056525
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
(3R)-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529126
(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191409

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (CID 124529112) is (3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1.
What is the InChIKey of (3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IQULYZCHPIAJAO-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H13Cl2N3O4/c18-13-2-1-3-14(16(13)19)21-9-10(8-15(21)23)17(24)20-11-4-6-12(7-5-11)22(25)26/h1-7,10H,8-9H2,(H,20,24)/t10-/m1/s1.
What are the key properties of (3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 394.21 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,3-dichlorophenyl)-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124529112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).