(3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

C18H16ClN3O4 — CID 51935639

IUPAC(3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H16ClN3O4/c1-11-15(6-3-7-16(11)22(25)26)20-18(24)12-8-17(23)21(10-12)14-5-2-4-13(19)9-14/h2-7,9,12H,8,10H2,1H3,(H,20,24)/t12-/m0/s1
InChIKeyLHCIDLPCKSLPCC-LBPRGKRZSA-N
MW373.80 g/mol
LogP3.55
Rot. Bonds4

About (3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51935639) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is (3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51935639
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC Name(3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H16ClN3O4/c1-11-15(6-3-7-16(11)22(25)26)20-18(24)12-8-17(23)21(10-12)14-5-2-4-13(19)9-14/h2-7,9,12H,8,10H2,1H3,(H,20,24)/t12-/m0/s1
InChIKeyLHCIDLPCKSLPCC-LBPRGKRZSA-N
XLogP3.55
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 53.55
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

(3S)-N-(3-chloro-2-methylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40977091
1-(3-chlorophenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46585581
(3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004873
1-methyl-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42956829
(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260387
(3S)-N-(4-chloro-2-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7366806
(3S)-N-(2,3-dichlorophenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056655
N-(2-methyl-3-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118693
(3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7379264
N-[3-chloro-2-(dimethylamino)phenyl]-1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55762901
1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50838030
(3R)-1-(4-methyl-3-nitrophenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9056660

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (CID 51935639) is (3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is Cc1c(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cccc1[N+](=O)[O-].
What is the InChIKey of (3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LHCIDLPCKSLPCC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-11-15(6-3-7-16(11)22(25)26)20-18(24)12-8-17(23)21(10-12)14-5-2-4-13(19)9-14/h2-7,9,12H,8,10H2,1H3,(H,20,24)/t12-/m0/s1.
What are the key properties of (3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 373.80 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51935639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).