2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one

C23H16BrF2N3O5 — CID 130405726

IUPAC2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one
SMILESO=C(c1c(F)ccc([N+](=O)[O-])c1F)N1CC(=O)N(OCc2ccccc2)C1c1cccc(Br)c1
InChIInChI=1S/C23H16BrF2N3O5/c24-16-8-4-7-15(11-16)22-27(12-19(30)28(22)34-13-14-5-2-1-3-6-14)23(31)20-17(25)9-10-18(21(20)26)29(32)33/h1-11,22H,12-13H2
InChIKeyKVTBTWVJQYVXPB-UHFFFAOYSA-N
MW532.30 g/mol
LogP4.75
Rot. Bonds6

About 2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one

2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one (PubChem CID 130405726) has the molecular formula C23H16BrF2N3O5 and a molecular weight of 532.30 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one
PubChem CID130405726
Molecular FormulaC23H16BrF2N3O5
Molecular Weight532.30 g/mol
Exact Mass531.02
IUPAC Name2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one
SMILESO=C(c1c(F)ccc([N+](=O)[O-])c1F)N1CC(=O)N(OCc2ccccc2)C1c1cccc(Br)c1
InChIInChI=1S/C23H16BrF2N3O5/c24-16-8-4-7-15(11-16)22-27(12-19(30)28(22)34-13-14-5-2-1-3-6-14)23(31)20-17(25)9-10-18(21(20)26)29(32)33/h1-11,22H,12-13H2
InChIKeyKVTBTWVJQYVXPB-UHFFFAOYSA-N
XLogP4.75
TPSA92.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.30
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-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

2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one
CID 130405714
2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrophenyl)ethanone
CID 79758652
N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide
CID 137497780
1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one
CID 130405719
2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405721
2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405765
(2,6-difluoro-3-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 79773761
4-(2,6-difluoro-3-nitrobenzoyl)piperazin-2-one
CID 79772708
2,6-difluoro-3-nitrobenzamide
CID 2780101
4-[(3-bromophenyl)methoxymethyl]-2-fluoro-1-nitrobenzene
CID 82824688
1-[2-(3-bromophenyl)pyrrolidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 47063496
2-(4-bromophenyl)-1-(2,6-difluoro-3-nitrophenyl)ethanone
CID 79757958

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one?
The IUPAC name of 2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one (CID 130405726) is 2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one?
The canonical SMILES for 2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one is O=C(c1c(F)ccc([N+](=O)[O-])c1F)N1CC(=O)N(OCc2ccccc2)C1c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one?
The InChIKey is KVTBTWVJQYVXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrF2N3O5/c24-16-8-4-7-15(11-16)22-27(12-19(30)28(22)34-13-14-5-2-1-3-6-14)23(31)20-17(25)9-10-18(21(20)26)29(32)33/h1-11,22H,12-13H2.
What are the key properties of 2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one?
2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one has a molecular weight of 532.30 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one is sourced from PubChem (CID 130405726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).