2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one

C17H13BrF2N2O4 — CID 130405765

IUPAC2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one
SMILESCOc1cc(F)c(C(=O)N2CC(=O)N(O)C2c2cccc(Br)c2)c(F)c1
InChIInChI=1S/C17H13BrF2N2O4/c1-26-11-6-12(19)15(13(20)7-11)17(24)21-8-14(23)22(25)16(21)9-3-2-4-10(18)5-9/h2-7,16,25H,8H2,1H3
InChIKeyOYVMWRLQUZTCMP-UHFFFAOYSA-N
MW427.20 g/mol
LogP3.11
Rot. Bonds3

About 2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one

2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one (PubChem CID 130405765) has the molecular formula C17H13BrF2N2O4 and a molecular weight of 427.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one
PubChem CID130405765
Molecular FormulaC17H13BrF2N2O4
Molecular Weight427.20 g/mol
Exact Mass426.00
IUPAC Name2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one
SMILESCOc1cc(F)c(C(=O)N2CC(=O)N(O)C2c2cccc(Br)c2)c(F)c1
InChIInChI=1S/C17H13BrF2N2O4/c1-26-11-6-12(19)15(13(20)7-11)17(24)21-8-14(23)22(25)16(21)9-3-2-4-10(18)5-9/h2-7,16,25H,8H2,1H3
InChIKeyOYVMWRLQUZTCMP-UHFFFAOYSA-N
XLogP3.11
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.20
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]acetamide
CID 137497796
N-[3-[2-(3-bromophenyl)-3-hydroxy-4-oxoimidazolidine-1-carbonyl]-2,4-difluorophenyl]methanesulfonamide
CID 137497780
2-(2-bromo-4-pyridinyl)-1-(2,6-difluorobenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405700
1-(2,6-difluorobenzoyl)-3-hydroxy-2-(3-nitrophenyl)imidazolidin-4-one
CID 130405719
2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one
CID 130405726
(2,6-difluoro-4-methoxyphenyl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 134707878
9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72935399
(5R)-7-bromo-4-(3,5-dimethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2046166
(5S)-7-bromo-4-(3,5-dimethoxybenzoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
CID 2046169
2-(3-bromophenyl)-3-phenylmethoxy-1-(pyrazine-2-carbonyl)imidazolidin-4-one
CID 130405714
[2-(3-bromophenyl)pyrrolidin-1-yl]-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 55889459

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one?
The IUPAC name of 2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one (CID 130405765) is 2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one?
The canonical SMILES for 2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one is COc1cc(F)c(C(=O)N2CC(=O)N(O)C2c2cccc(Br)c2)c(F)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one?
The InChIKey is OYVMWRLQUZTCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2N2O4/c1-26-11-6-12(19)15(13(20)7-11)17(24)21-8-14(23)22(25)16(21)9-3-2-4-10(18)5-9/h2-7,16,25H,8H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one?
2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one has a molecular weight of 427.20 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(2,6-difluoro-4-methoxybenzoyl)-3-hydroxyimidazolidin-4-one is sourced from PubChem (CID 130405765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).