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

C19H17F2N3O4 — CID 4675954

IUPAC2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C19H17F2N3O4/c1-19(12-7-9-14(10-8-12)28-17(20)21)16(26)24(18(27)23-19)11-15(25)22-13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,22,25)(H,23,27)
InChIKeyVMCQLBVUJOQMCT-UHFFFAOYSA-N
MW389.36 g/mol
LogP2.69
Rot. Bonds6

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

2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide (PubChem CID 4675954) has the molecular formula C19H17F2N3O4 and a molecular weight of 389.36 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
PubChem CID4675954
Molecular FormulaC19H17F2N3O4
Molecular Weight389.36 g/mol
Exact Mass389.12
IUPAC Name2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C19H17F2N3O4/c1-19(12-7-9-14(10-8-12)28-17(20)21)16(26)24(18(27)23-19)11-15(25)22-13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,22,25)(H,23,27)
InChIKeyVMCQLBVUJOQMCT-UHFFFAOYSA-N
XLogP2.69
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.69
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-phenylacetamide?
The IUPAC name of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide (CID 4675954) is 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide is CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccccc2)C1=O.
What is the InChIKey of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
The InChIKey is VMCQLBVUJOQMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O4/c1-19(12-7-9-14(10-8-12)28-17(20)21)16(26)24(18(27)23-19)11-15(25)22-13-5-3-2-4-6-13/h2-10,17H,11H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide?
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide has a molecular weight of 389.36 g/mol, XLogP of 2.69, 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-phenylacetamide is sourced from PubChem (CID 4675954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).