2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide

C19H18F2N4O6 — CID 4827626

IUPAC2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O
InChIInChI=1S/C19H18F2N4O6/c1-19(11-4-6-12(7-5-11)31-16(20)21)15(27)25(18(29)24-19)10-14(26)23-17(28)22-9-13-3-2-8-30-13/h2-8,16H,9-10H2,1H3,(H,24,29)(H2,22,23,26,28)
InChIKeyBHMMMCLXUJLZNJ-UHFFFAOYSA-N
MW436.37 g/mol
LogP1.67
Rot. Bonds7

About 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide

2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 4827626) has the molecular formula C19H18F2N4O6 and a molecular weight of 436.37 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID4827626
Molecular FormulaC19H18F2N4O6
Molecular Weight436.37 g/mol
Exact Mass436.12
IUPAC Name2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O
InChIInChI=1S/C19H18F2N4O6/c1-19(11-4-6-12(7-5-11)31-16(20)21)15(27)25(18(29)24-19)10-14(26)23-17(28)22-9-13-3-2-8-30-13/h2-8,16H,9-10H2,1H3,(H,24,29)(H2,22,23,26,28)
InChIKeyBHMMMCLXUJLZNJ-UHFFFAOYSA-N
XLogP1.67
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 4827626) is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O.
What is the InChIKey of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is BHMMMCLXUJLZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O6/c1-19(11-4-6-12(7-5-11)31-16(20)21)15(27)25(18(29)24-19)10-14(26)23-17(28)22-9-13-3-2-8-30-13/h2-8,16H,9-10H2,1H3,(H,24,29)(H2,22,23,26,28).
What are the key properties of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 436.37 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 4827626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).