4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one

C10H9BrFN3O3 — CID 168700438

IUPAC4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2c(F)cc([N+](=O)[O-])cc2Br)C1
InChIInChI=1S/C10H9BrFN3O3/c11-7-2-6(15(17)18)3-8(12)10(7)14-4-5(13)1-9(14)16/h2-3,5H,1,4,13H2
InChIKeyDLOVMUSZXPBUSC-UHFFFAOYSA-N
MW318.10 g/mol
LogP1.56
Rot. Bonds2

About 4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one

4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one (PubChem CID 168700438) has the molecular formula C10H9BrFN3O3 and a molecular weight of 318.10 g/mol. Its IUPAC name is 4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one
PubChem CID168700438
Molecular FormulaC10H9BrFN3O3
Molecular Weight318.10 g/mol
Exact Mass316.98
IUPAC Name4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2c(F)cc([N+](=O)[O-])cc2Br)C1
InChIInChI=1S/C10H9BrFN3O3/c11-7-2-6(15(17)18)3-8(12)10(7)14-4-5(13)1-9(14)16/h2-3,5H,1,4,13H2
InChIKeyDLOVMUSZXPBUSC-UHFFFAOYSA-N
XLogP1.56
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.10
LogP ≤ 51.56
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-(2-bromo-6-fluoro-4-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694483
4-amino-1-(2-fluoro-5-nitrophenyl)pyrrolidin-2-one
CID 43521187
1-(2,6-difluoro-4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697600
4-amino-1-(2,4,6-tribromophenyl)pyrrolidin-2-one
CID 43521111
4-amino-1-(4-bromo-2-methyl-6-nitrophenyl)pyrrolidin-2-one
CID 168699881
1-(2-bromo-6-methyl-4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691182
1-(2-bromo-6-methyl-4-nitrophenyl)-4-ethynylpyrrolidin-2-one
CID 168501330
4-amino-1-(4-bromo-5-methoxy-2-nitrophenyl)pyrrolidin-2-one
CID 168699533
1,2-dibromo-3-fluoro-5-nitrobenzene
CID 118841496
1-(4-bromo-2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697641
4-(bromomethyl)-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one
CID 168505729
1-(4-bromo-2-fluoro-6-nitrophenyl)-4-ethenylpyrrolidin-2-one
CID 168685676

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one (CID 168700438) is 4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one is NC1CC(=O)N(c2c(F)cc([N+](=O)[O-])cc2Br)C1.
What is the InChIKey of 4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one?
The InChIKey is DLOVMUSZXPBUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O3/c11-7-2-6(15(17)18)3-8(12)10(7)14-4-5(13)1-9(14)16/h2-3,5H,1,4,13H2.
What are the key properties of 4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one?
4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one has a molecular weight of 318.10 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-bromo-6-fluoro-4-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168700438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).