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

C20H25F2N3O4 — CID 2999509

IUPAC2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN1C(=O)NC(C)(c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C20H25F2N3O4/c1-12-5-3-4-6-15(12)23-16(26)11-25-17(27)20(2,24-19(25)28)13-7-9-14(10-8-13)29-18(21)22/h7-10,12,15,18H,3-6,11H2,1-2H3,(H,23,26)(H,24,28)
InChIKeySUCRBKHMVARZDP-UHFFFAOYSA-N
MW409.43 g/mol
LogP2.75
Rot. Bonds6

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

2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)acetamide (PubChem CID 2999509) has the molecular formula C20H25F2N3O4 and a molecular weight of 409.43 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)acetamide
PubChem CID2999509
Molecular FormulaC20H25F2N3O4
Molecular Weight409.43 g/mol
Exact Mass409.18
IUPAC Name2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CN1C(=O)NC(C)(c2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C20H25F2N3O4/c1-12-5-3-4-6-15(12)23-16(26)11-25-17(27)20(2,24-19(25)28)13-7-9-14(10-8-13)29-18(21)22/h7-10,12,15,18H,3-6,11H2,1-2H3,(H,23,26)(H,24,28)
InChIKeySUCRBKHMVARZDP-UHFFFAOYSA-N
XLogP2.75
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 52.75
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-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)acetamide (CID 2999509) is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CN1C(=O)NC(C)(c2ccc(OC(F)F)cc2)C1=O.
What is the InChIKey of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is SUCRBKHMVARZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O4/c1-12-5-3-4-6-15(12)23-16(26)11-25-17(27)20(2,24-19(25)28)13-7-9-14(10-8-13)29-18(21)22/h7-10,12,15,18H,3-6,11H2,1-2H3,(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-(2-methylcyclohexyl)acetamide?
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 409.43 g/mol, XLogP of 2.75, 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-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 2999509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).