N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

C11H10BrN3O4 — CID 83191905

IUPACN-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)CN1
InChIInChI=1S/C11H10BrN3O4/c12-8-4-7(15(18)19)1-2-9(8)14-11(17)6-3-10(16)13-5-6/h1-2,4,6H,3,5H2,(H,13,16)(H,14,17)
InChIKeyQKCNRNIDUFUEMR-UHFFFAOYSA-N
MW328.12 g/mol
LogP1.43
Rot. Bonds3

About N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 83191905) has the molecular formula C11H10BrN3O4 and a molecular weight of 328.12 g/mol. Its IUPAC name is N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID83191905
Molecular FormulaC11H10BrN3O4
Molecular Weight328.12 g/mol
Exact Mass326.99
IUPAC NameN-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)CN1
InChIInChI=1S/C11H10BrN3O4/c12-8-4-7(15(18)19)1-2-9(8)14-11(17)6-3-10(16)13-5-6/h1-2,4,6H,3,5H2,(H,13,16)(H,14,17)
InChIKeyQKCNRNIDUFUEMR-UHFFFAOYSA-N
XLogP1.43
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 51.43
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-(2-bromo-4-nitrophenyl)-2-methylpiperidine-4-carboxamide
CID 106739083
N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193218
5-bromo-2-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83191690
N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 102848007
N-(2-bromo-4-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3379395
N-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 86783977
(3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97084480
3-(2-bromo-4-nitroanilino)pyrrolidine-2,5-dione
CID 107810815
N-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981663
N-(3-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83191745
N-(2-bromo-4-nitrophenyl)-1-cyanocyclopropane-1-carboxamide
CID 114003676

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide (CID 83191905) is N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)CN1.
What is the InChIKey of N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QKCNRNIDUFUEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O4/c12-8-4-7(15(18)19)1-2-9(8)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-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.12 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 83191905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).