(4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one

C16H11BrF2N2O3 — CID 134532198

IUPAC(4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one
SMILESO=C1C[C@H](c2c(F)cc(Br)cc2F)CN1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H11BrF2N2O3/c17-10-6-11(18)16(12(19)7-10)9-5-15(22)20(8-9)13-3-1-2-4-14(13)21(23)24/h1-4,6-7,9H,5,8H2/t9-/m0/s1
InChIKeyVBXBRKRGJRARJO-VIFPVBQESA-N
MW397.18 g/mol
LogP4.16
Rot. Bonds3

About (4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one

(4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one (PubChem CID 134532198) has the molecular formula C16H11BrF2N2O3 and a molecular weight of 397.18 g/mol. Its IUPAC name is (4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one
PubChem CID134532198
Molecular FormulaC16H11BrF2N2O3
Molecular Weight397.18 g/mol
Exact Mass395.99
IUPAC Name(4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one
SMILESO=C1C[C@H](c2c(F)cc(Br)cc2F)CN1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H11BrF2N2O3/c17-10-6-11(18)16(12(19)7-10)9-5-15(22)20(8-9)13-3-1-2-4-14(13)21(23)24/h1-4,6-7,9H,5,8H2/t9-/m0/s1
InChIKeyVBXBRKRGJRARJO-VIFPVBQESA-N
XLogP4.16
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.18
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-(2-nitrophenyl)pyrrolidin-2-one
CID 168700800
1-(2-nitrophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671773
1-(4-bromo-5-fluoro-2-nitrophenyl)-4-chloropyrrolidin-2-one
CID 168688998
1-(4-bromo-2-fluoro-6-nitrophenyl)-4-ethenylpyrrolidin-2-one
CID 168685676
1-(4-bromo-2-fluoro-6-nitrophenyl)-4-ethynylpyrrolidin-2-one
CID 168502037
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
[(3S)-1-(2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7336292
(3R)-1-(2-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7304214
[1-(4-bromo-2-fluoro-6-nitrophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676868
(3R)-N-(4-chloro-3-nitrophenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1331284
(3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 7336293

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one (CID 134532198) is (4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one is O=C1C[C@H](c2c(F)cc(Br)cc2F)CN1c1ccccc1[N+](=O)[O-].
What is the InChIKey of (4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one?
The InChIKey is VBXBRKRGJRARJO-VIFPVBQESA-N. The full InChI is InChI=1S/C16H11BrF2N2O3/c17-10-6-11(18)16(12(19)7-10)9-5-15(22)20(8-9)13-3-1-2-4-14(13)21(23)24/h1-4,6-7,9H,5,8H2/t9-/m0/s1.
What are the key properties of (4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one?
(4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one has a molecular weight of 397.18 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-bromo-2,6-difluorophenyl)-1-(2-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 134532198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).