(3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

C18H16ClN3O5 — CID 9004873

IUPAC(3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1
InChIInChI=1S/C18H16ClN3O5/c1-27-14-5-6-16(22(25)26)15(9-14)20-18(24)11-7-17(23)21(10-11)13-4-2-3-12(19)8-13/h2-6,8-9,11H,7,10H2,1H3,(H,20,24)/t11-/m1/s1
InChIKeyOOCLKULTPBZQDM-LLVKDONJSA-N
MW389.80 g/mol
LogP3.25
Rot. Bonds5

About (3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 9004873) has the molecular formula C18H16ClN3O5 and a molecular weight of 389.80 g/mol. Its IUPAC name is (3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID9004873
Molecular FormulaC18H16ClN3O5
Molecular Weight389.80 g/mol
Exact Mass389.08
IUPAC Name(3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1
InChIInChI=1S/C18H16ClN3O5/c1-27-14-5-6-16(22(25)26)15(9-14)20-18(24)11-7-17(23)21(10-11)13-4-2-3-12(19)8-13/h2-6,8-9,11H,7,10H2,1H3,(H,20,24)/t11-/m1/s1
InChIKeyOOCLKULTPBZQDM-LLVKDONJSA-N
XLogP3.25
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.80
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-1-(3-chlorophenyl)-N-(2-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 51935639
N-(5-chloro-2,4-dimethoxyphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46581359
(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
(3S)-N-(3-chloro-2-methylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40977091
(3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7379264
1-(3-cyanophenyl)-N-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191935
1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 17152952
(3R)-N-(2-fluoro-5-nitrophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40741507
1-(3-chlorophenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46585581
methyl 3-[4-[(2,5-dimethoxyphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189351
N-(4-methoxy-2-nitrophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18885973

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (CID 9004873) is (3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c1.
What is the InChIKey of (3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OOCLKULTPBZQDM-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16ClN3O5/c1-27-14-5-6-16(22(25)26)15(9-14)20-18(24)11-7-17(23)21(10-11)13-4-2-3-12(19)8-13/h2-6,8-9,11H,7,10H2,1H3,(H,20,24)/t11-/m1/s1.
What are the key properties of (3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 389.80 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chlorophenyl)-N-(5-methoxy-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9004873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).