1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

C11H9BrF2N2O2 — CID 168697577

IUPAC1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(F)c(Br)cc2F)C1
InChIInChI=1S/C11H9BrF2N2O2/c12-6-2-8(14)9(3-7(6)13)16-4-5(11(15)18)1-10(16)17/h2-3,5H,1,4H2,(H2,15,18)
InChIKeyGRPCWYGMVOFUIS-UHFFFAOYSA-N
MW319.11 g/mol
LogP1.57
Rot. Bonds2

About 1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide

1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697577) has the molecular formula C11H9BrF2N2O2 and a molecular weight of 319.11 g/mol. Its IUPAC name is 1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168697577
Molecular FormulaC11H9BrF2N2O2
Molecular Weight319.11 g/mol
Exact Mass317.98
IUPAC Name1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cc(F)c(Br)cc2F)C1
InChIInChI=1S/C11H9BrF2N2O2/c12-6-2-8(14)9(3-7(6)13)16-4-5(11(15)18)1-10(16)17/h2-3,5H,1,4H2,(H2,15,18)
InChIKeyGRPCWYGMVOFUIS-UHFFFAOYSA-N
XLogP1.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.11
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697672
1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696695
5-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2,4-difluorobenzoic acid
CID 168697665
1-(2-amino-5-bromo-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696736
1-[2-bromo-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697662
5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 168697904
1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698402
1-(2-amino-4,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698300
1-(4-bromo-2,5-difluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671293
1-(5-bromo-3-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697582
1-(2-amino-5-bromo-6-methyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168696869
1-(2,4-dibromo-5-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696507

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 168697577) is 1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cc(F)c(Br)cc2F)C1.
What is the InChIKey of 1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GRPCWYGMVOFUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N2O2/c12-6-2-8(14)9(3-7(6)13)16-4-5(11(15)18)1-10(16)17/h2-3,5H,1,4H2,(H2,15,18).
What are the key properties of 1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 319.11 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-difluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).