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

C17H13BrF2N2O3 — CID 130405721

IUPAC2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one
SMILESCc1cc(F)c(C(=O)N2CC(=O)N(O)C2c2cccc(Br)c2)c(F)c1
InChIInChI=1S/C17H13BrF2N2O3/c1-9-5-12(19)15(13(20)6-9)17(24)21-8-14(23)22(25)16(21)10-3-2-4-11(18)7-10/h2-7,16,25H,8H2,1H3
InChIKeyDLPPWQNHQWBWSD-UHFFFAOYSA-N
MW411.20 g/mol
LogP3.41
Rot. Bonds2

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

2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one (PubChem CID 130405721) has the molecular formula C17H13BrF2N2O3 and a molecular weight of 411.20 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one
PubChem CID130405721
Molecular FormulaC17H13BrF2N2O3
Molecular Weight411.20 g/mol
Exact Mass410.01
IUPAC Name2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one
SMILESCc1cc(F)c(C(=O)N2CC(=O)N(O)C2c2cccc(Br)c2)c(F)c1
InChIInChI=1S/C17H13BrF2N2O3/c1-9-5-12(19)15(13(20)6-9)17(24)21-8-14(23)22(25)16(21)10-3-2-4-11(18)7-10/h2-7,16,25H,8H2,1H3
InChIKeyDLPPWQNHQWBWSD-UHFFFAOYSA-N
XLogP3.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.20
LogP ≤ 53.41
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-methoxybenzoyl)-3-hydroxyimidazolidin-4-one
CID 130405765
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
1-(2-fluorobenzoyl)-3-hydroxy-2-(3-iodophenyl)imidazolidin-4-one
CID 130405730
3-[1-(2-chloro-6-fluorobenzoyl)-3-hydroxy-4-oxoimidazolidin-2-yl]benzonitrile
CID 130405812
1-benzoyl-3-hydroxy-2-[3-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 130405851
2-(3-bromophenyl)-1-(2,6-difluoro-3-nitrobenzoyl)-3-phenylmethoxyimidazolidin-4-one
CID 130405726
(2S,3S)-2-(3-bromophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 102534139
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 33014024
2-(3-bromophenyl)-1-(4-fluorobenzoyl)-3-hydroxyimidazolidine-4-carbaldehyde
CID 174932152

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one?
The IUPAC name of 2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one (CID 130405721) is 2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one?
The canonical SMILES for 2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one is Cc1cc(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-methylbenzoyl)-3-hydroxyimidazolidin-4-one?
The InChIKey is DLPPWQNHQWBWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2N2O3/c1-9-5-12(19)15(13(20)6-9)17(24)21-8-14(23)22(25)16(21)10-3-2-4-11(18)7-10/h2-7,16,25H,8H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one?
2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one has a molecular weight of 411.20 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(2,6-difluoro-4-methylbenzoyl)-3-hydroxyimidazolidin-4-one is sourced from PubChem (CID 130405721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).