N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

C11H10ClN3O4 — CID 83193218

IUPACN-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CN1
InChIInChI=1S/C11H10ClN3O4/c12-7-1-2-9(15(18)19)8(4-7)14-11(17)6-3-10(16)13-5-6/h1-2,4,6H,3,5H2,(H,13,16)(H,14,17)
InChIKeyGQHPXXIVKMXQQA-UHFFFAOYSA-N
MW283.67 g/mol
LogP1.32
Rot. Bonds3

About N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 83193218) has the molecular formula C11H10ClN3O4 and a molecular weight of 283.67 g/mol. Its IUPAC name is N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID83193218
Molecular FormulaC11H10ClN3O4
Molecular Weight283.67 g/mol
Exact Mass283.04
IUPAC NameN-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CN1
InChIInChI=1S/C11H10ClN3O4/c12-7-1-2-9(15(18)19)8(4-7)14-11(17)6-3-10(16)13-5-6/h1-2,4,6H,3,5H2,(H,13,16)(H,14,17)
InChIKeyGQHPXXIVKMXQQA-UHFFFAOYSA-N
XLogP1.32
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 51.32
H-Bond Donors ≤ 52
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

N-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193364
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
N-(3-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83191745
N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 76872950
N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83191905
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982635
N-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981663
N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83192750
5-chloro-2-nitro-N-(5-oxopyrrolidin-3-yl)benzamide
CID 113358036
5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 78981558
N-(5-chloro-2-nitrophenyl)azepane-2-carboxamide
CID 64563599
4-(5-chloro-2-nitrophenyl)pyrrolidin-2-one
CID 118276984

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (CID 83193218) is N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CN1.
What is the InChIKey of N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GQHPXXIVKMXQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4/c12-7-1-2-9(15(18)19)8(4-7)14-11(17)6-3-10(16)13-5-6/h1-2,4,6H,3,5H2,(H,13,16)(H,14,17).
What are the key properties of N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 283.67 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 83193218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).