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

C26H23F2N3O6 — CID 16583793

IUPAC2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESCOc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3ccc(OC(F)F)cc3)C2=O)cc1
InChIInChI=1S/C26H23F2N3O6/c1-35-19-9-3-16(4-10-19)26(17-5-11-20(36-2)12-6-17)23(33)31(25(34)30-26)15-22(32)29-18-7-13-21(14-8-18)37-24(27)28/h3-14,24H,15H2,1-2H3,(H,29,32)(H,30,34)
InChIKeyCFHITMNSFPTLNN-UHFFFAOYSA-N
MW511.48 g/mol
LogP3.74
Rot. Bonds9

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

2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 16583793) has the molecular formula C26H23F2N3O6 and a molecular weight of 511.48 g/mol. Its IUPAC name is 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID16583793
Molecular FormulaC26H23F2N3O6
Molecular Weight511.48 g/mol
Exact Mass511.16
IUPAC Name2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESCOc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3ccc(OC(F)F)cc3)C2=O)cc1
InChIInChI=1S/C26H23F2N3O6/c1-35-19-9-3-16(4-10-19)26(17-5-11-20(36-2)12-6-17)23(33)31(25(34)30-26)15-22(32)29-18-7-13-21(14-8-18)37-24(27)28/h3-14,24H,15H2,1-2H3,(H,29,32)(H,30,34)
InChIKeyCFHITMNSFPTLNN-UHFFFAOYSA-N
XLogP3.74
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.48
LogP ≤ 53.74
H-Bond Donors ≤ 52
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-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide (CID 16583793) is 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide is COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3ccc(OC(F)F)cc3)C2=O)cc1.
What is the InChIKey of 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is CFHITMNSFPTLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O6/c1-35-19-9-3-16(4-10-19)26(17-5-11-20(36-2)12-6-17)23(33)31(25(34)30-26)15-22(32)29-18-7-13-21(14-8-18)37-24(27)28/h3-14,24H,15H2,1-2H3,(H,29,32)(H,30,34).
What are the key properties of 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide?
2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 511.48 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-bis(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 16583793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).