1-(2-chlorophenyl)-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

C18H16ClN3O4 — CID 18885890

IUPAC1-(2-chlorophenyl)-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C18H16ClN3O4/c1-11-5-4-8-15(22(25)26)17(11)20-18(24)12-9-16(23)21(10-12)14-7-3-2-6-13(14)19/h2-8,12H,9-10H2,1H3,(H,20,24)
InChIKeyGTZCDCILUPMWID-UHFFFAOYSA-N
MW373.80 g/mol
LogP3.55
Rot. Bonds4

About 1-(2-chlorophenyl)-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

1-(2-chlorophenyl)-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 18885890) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID18885890
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC Name1-(2-chlorophenyl)-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc([N+](=O)[O-])c1NC(=O)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C18H16ClN3O4/c1-11-5-4-8-15(22(25)26)17(11)20-18(24)12-9-16(23)21(10-12)14-7-3-2-6-13(14)19/h2-8,12H,9-10H2,1H3,(H,20,24)
InChIKeyGTZCDCILUPMWID-UHFFFAOYSA-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

1-(2,3-dichlorophenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191381
1-benzyl-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885882
(3R)-1-(2-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7304214
(3R)-N-(2,6-dimethylphenyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056624
1-(3-chloro-2-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187521
(3S)-N-(2,6-dimethylphenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 9005100
N-(2-chloro-4,6-dimethylphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185945
1-(5-chloro-2-methylphenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187608
(3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1331284
(3S)-1-(2-chlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26721715
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569551

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (CID 18885890) is 1-(2-chlorophenyl)-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc([N+](=O)[O-])c1NC(=O)C1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GTZCDCILUPMWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-11-5-4-8-15(22(25)26)17(11)20-18(24)12-9-16(23)21(10-12)14-7-3-2-6-13(14)19/h2-8,12H,9-10H2,1H3,(H,20,24).
What are the key properties of 1-(2-chlorophenyl)-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-chlorophenyl)-N-(2-methyl-6-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 1-(2-chlorophenyl)-N-(2-methyl-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 18885890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).