2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide

C19H16F3N3O4 — CID 3599094

IUPAC2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O
InChIInChI=1S/C19H16F3N3O4/c1-19(11-5-7-14(8-6-11)29-17(21)22)16(27)25(18(28)24-19)10-15(26)23-13-4-2-3-12(20)9-13/h2-9,17H,10H2,1H3,(H,23,26)(H,24,28)
InChIKeyHBILFSQBSHMAQL-UHFFFAOYSA-N
MW407.35 g/mol
LogP2.83
Rot. Bonds6

About 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide

2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 3599094) has the molecular formula C19H16F3N3O4 and a molecular weight of 407.35 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID3599094
Molecular FormulaC19H16F3N3O4
Molecular Weight407.35 g/mol
Exact Mass407.11
IUPAC Name2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O
InChIInChI=1S/C19H16F3N3O4/c1-19(11-5-7-14(8-6-11)29-17(21)22)16(27)25(18(28)24-19)10-15(26)23-13-4-2-3-12(20)9-13/h2-9,17H,10H2,1H3,(H,23,26)(H,24,28)
InChIKeyHBILFSQBSHMAQL-UHFFFAOYSA-N
XLogP2.83
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide (CID 3599094) is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide is CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2cccc(F)c2)C1=O.
What is the InChIKey of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is HBILFSQBSHMAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4/c1-19(11-5-7-14(8-6-11)29-17(21)22)16(27)25(18(28)24-19)10-15(26)23-13-4-2-3-12(20)9-13/h2-9,17H,10H2,1H3,(H,23,26)(H,24,28).
What are the key properties of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 407.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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-(3-fluorophenyl)acetamide is sourced from PubChem (CID 3599094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).