2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one

C13H12BrFN2O3 — CID 130405761

IUPAC2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one
SMILESO=C1CN(C(=O)C2CC2)C(c2ccc(F)c(Br)c2)N1O
InChIInChI=1S/C13H12BrFN2O3/c14-9-5-8(3-4-10(9)15)12-16(6-11(18)17(12)20)13(19)7-1-2-7/h3-5,7,12,20H,1-2,6H2
InChIKeyNSPXYIIEVQTUEA-UHFFFAOYSA-N
MW343.15 g/mol
LogP2.06
Rot. Bonds2

About 2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one

2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one (PubChem CID 130405761) has the molecular formula C13H12BrFN2O3 and a molecular weight of 343.15 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one
PubChem CID130405761
Molecular FormulaC13H12BrFN2O3
Molecular Weight343.15 g/mol
Exact Mass342.00
IUPAC Name2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one
SMILESO=C1CN(C(=O)C2CC2)C(c2ccc(F)c(Br)c2)N1O
InChIInChI=1S/C13H12BrFN2O3/c14-9-5-8(3-4-10(9)15)12-16(6-11(18)17(12)20)13(19)7-1-2-7/h3-5,7,12,20H,1-2,6H2
InChIKeyNSPXYIIEVQTUEA-UHFFFAOYSA-N
XLogP2.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.15
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405721
2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405700
[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 103706428
N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide
CID 137497796
1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one
CID 130405730
1-(3-aminocyclopentyl)-2-(3-bromo-4-fluorophenyl)ethanone
CID 116587183
(3R,6R)-1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)piperidine-3-carboxylic acid
CID 92996555
1-[(3-bromo-4-fluorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084066
2-bromo-4-(2,2-dichlorocyclopropyl)-1-fluorobenzene
CID 161444513
(4R)-4-(3-bromo-4-fluorophenyl)imidazolidin-2-one
CID 130723631
(3-bromo-4-fluorophenyl)-[2-(chloromethyl)azepan-1-yl]methanone
CID 107956864
1-[3-(3-bromo-4-fluorophenyl)-2-methylpropanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122113084

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one (CID 130405761) is 2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one is O=C1CN(C(=O)C2CC2)C(c2ccc(F)c(Br)c2)N1O.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one?
The InChIKey is NSPXYIIEVQTUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O3/c14-9-5-8(3-4-10(9)15)12-16(6-11(18)17(12)20)13(19)7-1-2-7/h3-5,7,12,20H,1-2,6H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one?
2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one has a molecular weight of 343.15 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-1-(cyclopropanecarbonyl)-3-hydroxyimidazolidin-4-one is sourced from PubChem (CID 130405761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).