3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione

C14H14BrFN2O2 — CID 78878457

IUPAC3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(Cc2ccc(F)c(Br)c2)C1=O
InChIInChI=1S/C14H14BrFN2O2/c1-14(9-3-4-9)12(19)18(13(20)17-14)7-8-2-5-11(16)10(15)6-8/h2,5-6,9H,3-4,7H2,1H3,(H,17,20)
InChIKeyBTPKTNRTPBZAHC-UHFFFAOYSA-N
MW341.18 g/mol
LogP2.81
Rot. Bonds3

About 3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione

3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (PubChem CID 78878457) has the molecular formula C14H14BrFN2O2 and a molecular weight of 341.18 g/mol. Its IUPAC name is 3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
PubChem CID78878457
Molecular FormulaC14H14BrFN2O2
Molecular Weight341.18 g/mol
Exact Mass340.02
IUPAC Name3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CC2)NC(=O)N(Cc2ccc(F)c(Br)c2)C1=O
InChIInChI=1S/C14H14BrFN2O2/c1-14(9-3-4-9)12(19)18(13(20)17-14)7-8-2-5-11(16)10(15)6-8/h2,5-6,9H,3-4,7H2,1H3,(H,17,20)
InChIKeyBTPKTNRTPBZAHC-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-cyclopropyl-5-methyl-3-[(3-methyl-4-methylsulfonylphenyl)methyl]imidazolidine-2,4-dione
CID 99781725
(5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 7043083
5-cyclopropyl-3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-methylimidazolidine-2,4-dione
CID 78827283
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylpyrrolidine-2,5-dione
CID 54970993
N-[(5-bromo-2-fluorophenyl)methyl]-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 95602649
5-cyclopropyl-3-[(2,5-dimethylphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 71905359
(5R)-5-cyclopropyl-3-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-5-methylimidazolidine-2,4-dione
CID 97339255
3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7618742
3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide
CID 78903832
1-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64882185
5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 84601768
N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8572834

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione (CID 78878457) is 3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is CC1(C2CC2)NC(=O)N(Cc2ccc(F)c(Br)c2)C1=O.
What is the InChIKey of 3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
The InChIKey is BTPKTNRTPBZAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O2/c1-14(9-3-4-9)12(19)18(13(20)17-14)7-8-2-5-11(16)10(15)6-8/h2,5-6,9H,3-4,7H2,1H3,(H,17,20).
What are the key properties of 3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione?
3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione has a molecular weight of 341.18 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 78878457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).