N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

C11H9BrF2N2O2 — CID 102848007

IUPACN-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Br)c(F)cc2F)CN1
InChIInChI=1S/C11H9BrF2N2O2/c12-6-2-9(8(14)3-7(6)13)16-11(18)5-1-10(17)15-4-5/h2-3,5H,1,4H2,(H,15,17)(H,16,18)
InChIKeyLVOHNUFYJMZQIJ-UHFFFAOYSA-N
MW319.11 g/mol
LogP1.80
Rot. Bonds2

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

N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 102848007) has the molecular formula C11H9BrF2N2O2 and a molecular weight of 319.11 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID102848007
Molecular FormulaC11H9BrF2N2O2
Molecular Weight319.11 g/mol
Exact Mass317.98
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Br)c(F)cc2F)CN1
InChIInChI=1S/C11H9BrF2N2O2/c12-6-2-9(8(14)3-7(6)13)16-11(18)5-1-10(17)15-4-5/h2-3,5H,1,4H2,(H,15,17)(H,16,18)
InChIKeyLVOHNUFYJMZQIJ-UHFFFAOYSA-N
XLogP1.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.11
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-5-[(6-oxopiperidine-3-carbonyl)amino]benzoic acid
CID 76876658
N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 107470607
N-(2-bromo-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83191905
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981850
5-oxo-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 78981558
2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192341
5-bromo-2-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83191690
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
(3S)-N-(4-bromo-2-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97084480
N-[5-bromo-2-(ethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 86783977
(3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide
CID 97341230
N-(3-bromo-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 104938731

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 102848007) is N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2cc(Br)c(F)cc2F)CN1.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LVOHNUFYJMZQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N2O2/c12-6-2-9(8(14)3-7(6)13)16-11(18)5-1-10(17)15-4-5/h2-3,5H,1,4H2,(H,15,17)(H,16,18).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 319.11 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 102848007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).