1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

C11H10ClN3O4 — CID 168697954

IUPAC1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(Cl)cc2[N+](=O)[O-])C1
InChIInChI=1S/C11H10ClN3O4/c12-7-1-2-8(9(4-7)15(18)19)14-5-6(11(13)17)3-10(14)16/h1-2,4,6H,3,5H2,(H2,13,17)
InChIKeyPERQSDKTCWIQJH-UHFFFAOYSA-N
MW283.67 g/mol
LogP1.09
Rot. Bonds3

About 1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697954) has the molecular formula C11H10ClN3O4 and a molecular weight of 283.67 g/mol. Its IUPAC name is 1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168697954
Molecular FormulaC11H10ClN3O4
Molecular Weight283.67 g/mol
Exact Mass283.04
IUPAC Name1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccc(Cl)cc2[N+](=O)[O-])C1
InChIInChI=1S/C11H10ClN3O4/c12-7-1-2-8(9(4-7)15(18)19)14-5-6(11(13)17)3-10(14)16/h1-2,4,6H,3,5H2,(H2,13,17)
InChIKeyPERQSDKTCWIQJH-UHFFFAOYSA-N
XLogP1.09
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 51.09
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

methyl 1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694834
1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698038
1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697806
1-(2,6-difluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697603
1-(5-chloro-2-nitrophenyl)piperidine-4-carboxamide
CID 3890485
1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697723
(3R)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076167
1-(2-amino-4-chlorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691853
(3S)-1-(4-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076113
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-(4-bromo-2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697641
1-(2-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698272

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (CID 168697954) is 1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2ccc(Cl)cc2[N+](=O)[O-])C1.
What is the InChIKey of 1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PERQSDKTCWIQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4/c12-7-1-2-8(9(4-7)15(18)19)14-5-6(11(13)17)3-10(14)16/h1-2,4,6H,3,5H2,(H2,13,17).
What are the key properties of 1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 283.67 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).