(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione

C21H20BrFN2O3 — CID 40927642

IUPAC(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cccc(Br)c2)C1=O
InChIInChI=1S/C21H20BrFN2O3/c1-2-3-11-21(15-7-9-17(23)10-8-15)19(27)25(20(28)24-21)13-18(26)14-5-4-6-16(22)12-14/h4-10,12H,2-3,11,13H2,1H3,(H,24,28)/t21-/m1/s1
InChIKeyCDYLZIFDMTZJDN-OAQYLSRUSA-N
MW447.30 g/mol
LogP4.41
Rot. Bonds7

About (5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione

(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 40927642) has the molecular formula C21H20BrFN2O3 and a molecular weight of 447.30 g/mol. Its IUPAC name is (5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID40927642
Molecular FormulaC21H20BrFN2O3
Molecular Weight447.30 g/mol
Exact Mass446.06
IUPAC Name(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cccc(Br)c2)C1=O
InChIInChI=1S/C21H20BrFN2O3/c1-2-3-11-21(15-7-9-17(23)10-8-15)19(27)25(20(28)24-21)13-18(26)14-5-4-6-16(22)12-14/h4-10,12H,2-3,11,13H2,1H3,(H,24,28)/t21-/m1/s1
InChIKeyCDYLZIFDMTZJDN-OAQYLSRUSA-N
XLogP4.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.30
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-butyl-5-(4-fluorophenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 8675979
(5R)-5-butyl-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7621362
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 7620041
methyl 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7621528
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7620481
(5R)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622583
(5S)-5-butyl-5-(4-fluorophenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 7622563
ethyl N-[2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]carbamate
CID 7621289
2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7620682
2-[(4R)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 7621326
2-[4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 42898744
(5S)-5-butyl-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 7622401

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 40927642) is (5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione is CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)c2cccc(Br)c2)C1=O.
What is the InChIKey of (5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is CDYLZIFDMTZJDN-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20BrFN2O3/c1-2-3-11-21(15-7-9-17(23)10-8-15)19(27)25(20(28)24-21)13-18(26)14-5-4-6-16(22)12-14/h4-10,12H,2-3,11,13H2,1H3,(H,24,28)/t21-/m1/s1.
What are the key properties of (5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione?
(5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 447.30 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(3-bromophenyl)-2-oxoethyl]-5-butyl-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 40927642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).