5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C20H16F4N2O5 — CID 155562608

IUPAC5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc(C2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)ccc1OC(F)F
InChIInChI=1S/C20H16F4N2O5/c1-20(10-3-6-15(31-18(23)24)16(7-10)30-2)17(28)26(19(29)25-20)9-14(27)12-5-4-11(21)8-13(12)22/h3-8,18H,9H2,1-2H3,(H,25,29)
InChIKeyFFFZDZHWLBGXLM-UHFFFAOYSA-N
MW440.35 g/mol
LogP3.22
Rot. Bonds7

About 5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 155562608) has the molecular formula C20H16F4N2O5 and a molecular weight of 440.35 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID155562608
Molecular FormulaC20H16F4N2O5
Molecular Weight440.35 g/mol
Exact Mass440.10
IUPAC Name5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cc(C2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)ccc1OC(F)F
InChIInChI=1S/C20H16F4N2O5/c1-20(10-3-6-15(31-18(23)24)16(7-10)30-2)17(28)26(19(29)25-20)9-14(27)12-5-4-11(21)8-13(12)22/h3-8,18H,9H2,1-2H3,(H,25,29)
InChIKeyFFFZDZHWLBGXLM-UHFFFAOYSA-N
XLogP3.22
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 155562608) is 5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is COc1cc(C2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)ccc1OC(F)F.
What is the InChIKey of 5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is FFFZDZHWLBGXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N2O5/c1-20(10-3-6-15(31-18(23)24)16(7-10)30-2)17(28)26(19(29)25-20)9-14(27)12-5-4-11(21)8-13(12)22/h3-8,18H,9H2,1-2H3,(H,25,29).
What are the key properties of 5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 440.35 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)-3-methoxyphenyl]-3-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 155562608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).