5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione

C20H15F2N3O5 — CID 43034219

IUPAC5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccc3c(c2)NC(=O)CO3)C1=O
InChIInChI=1S/C20H15F2N3O5/c1-20(12-7-11(21)3-4-13(12)22)18(28)25(19(29)24-20)8-15(26)10-2-5-16-14(6-10)23-17(27)9-30-16/h2-7H,8-9H2,1H3,(H,23,27)(H,24,29)
InChIKeyYRQRYDKKTHAJLH-UHFFFAOYSA-N
MW415.35 g/mol
LogP1.95
Rot. Bonds4

About 5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione

5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 43034219) has the molecular formula C20H15F2N3O5 and a molecular weight of 415.35 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione
PubChem CID43034219
Molecular FormulaC20H15F2N3O5
Molecular Weight415.35 g/mol
Exact Mass415.10
IUPAC Name5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione
SMILESCC1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccc3c(c2)NC(=O)CO3)C1=O
InChIInChI=1S/C20H15F2N3O5/c1-20(12-7-11(21)3-4-13(12)22)18(28)25(19(29)24-20)8-15(26)10-2-5-16-14(6-10)23-17(27)9-30-16/h2-7H,8-9H2,1H3,(H,23,27)(H,24,29)
InChIKeyYRQRYDKKTHAJLH-UHFFFAOYSA-N
XLogP1.95
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloro-4-fluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione
CID 56517757
(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 41142691
(5S)-5-(2,5-difluorophenyl)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7561985
(5R)-5-(2,5-difluorophenyl)-3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8597585
5-(2,5-difluorophenyl)-5-methyl-3-(trimethylsilylmethyl)imidazolidine-2,4-dione
CID 56529238
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
(5S)-5-(2,5-difluorophenyl)-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 7561979
(5R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 7562039
3'-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 43000888
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7801378
4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 7561970
2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 40985259

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione (CID 43034219) is 5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione is CC1(c2cc(F)ccc2F)NC(=O)N(CC(=O)c2ccc3c(c2)NC(=O)CO3)C1=O.
What is the InChIKey of 5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is YRQRYDKKTHAJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O5/c1-20(12-7-11(21)3-4-13(12)22)18(28)25(19(29)24-20)8-15(26)10-2-5-16-14(6-10)23-17(27)9-30-16/h2-7H,8-9H2,1H3,(H,23,27)(H,24,29).
What are the key properties of 5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione?
5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 415.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-5-methyl-3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 43034219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).