1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one

C16H11F2N3O5 — CID 130405719

IUPAC1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one
SMILESO=C1CN(C(=O)c2c(F)cccc2F)C(c2cccc([N+](=O)[O-])c2)N1O
InChIInChI=1S/C16H11F2N3O5/c17-11-5-2-6-12(18)14(11)16(23)19-8-13(22)20(24)15(19)9-3-1-4-10(7-9)21(25)26/h1-7,15,24H,8H2
InChIKeyYRTNKWNEQWTVOF-UHFFFAOYSA-N
MW363.28 g/mol
LogP2.25
Rot. Bonds3

About 1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one

1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one (PubChem CID 130405719) has the molecular formula C16H11F2N3O5 and a molecular weight of 363.28 g/mol. Its IUPAC name is 1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one
PubChem CID130405719
Molecular FormulaC16H11F2N3O5
Molecular Weight363.28 g/mol
Exact Mass363.07
IUPAC Name1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one
SMILESO=C1CN(C(=O)c2c(F)cccc2F)C(c2cccc([N+](=O)[O-])c2)N1O
InChIInChI=1S/C16H11F2N3O5/c17-11-5-2-6-12(18)14(11)16(23)19-8-13(22)20(24)15(19)9-3-1-4-10(7-9)21(25)26/h1-7,15,24H,8H2
InChIKeyYRTNKWNEQWTVOF-UHFFFAOYSA-N
XLogP2.25
TPSA103.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-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-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405700
2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405721
dimethyl 2-(3-nitrophenyl)cyclobutane-1,1-dicarboxylate
CID 139350699
2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one
CID 130405726
(2,6-difluorophenyl)-[4-[(2-fluoro-4-nitrophenyl)methyl]piperazin-1-yl]methanone
CID 69111066
ethyl 1-[(2-fluorophenyl)methyl]-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854412
2-(3-nitrophenyl)-1,3-dioxole
CID 141349380
[(2R)-2-methylpiperidin-1-yl]-(3-nitrophenyl)methanone
CID 40541675
3-hydroxy-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 2872744
5-(3-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 143152794
3-(3-nitrophenyl)-(1,2-15N2)3H-diazirine
CID 164713943
(3-nitrophenyl)cycloheptane
CID 142001294

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one?
The IUPAC name of 1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one (CID 130405719) is 1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one.
What is the SMILES notation for 1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one?
The canonical SMILES for 1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one is O=C1CN(C(=O)c2c(F)cccc2F)C(c2cccc([N+](=O)[O-])c2)N1O.
What is the InChIKey of 1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one?
The InChIKey is YRTNKWNEQWTVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O5/c17-11-5-2-6-12(18)14(11)16(23)19-8-13(22)20(24)15(19)9-3-1-4-10(7-9)21(25)26/h1-7,15,24H,8H2.
What are the key properties of 1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one?
1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one has a molecular weight of 363.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one is sourced from PubChem (CID 130405719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).