N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C26H23F2N3O5 — CID 55369477

IUPACN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCOc1ccc(-c2cc(NC(=O)CN3C(=O)NC(C)(c4ccccc4)C3=O)ccc2OC(F)F)cc1
InChIInChI=1S/C26H23F2N3O5/c1-26(17-6-4-3-5-7-17)23(33)31(25(34)30-26)15-22(32)29-18-10-13-21(36-24(27)28)20(14-18)16-8-11-19(35-2)12-9-16/h3-14,24H,15H2,1-2H3,(H,29,32)(H,30,34)
InChIKeyZGWNDYIHADGDFJ-UHFFFAOYSA-N
MW495.48 g/mol
LogP4.37
Rot. Bonds8

About N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 55369477) has the molecular formula C26H23F2N3O5 and a molecular weight of 495.48 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID55369477
Molecular FormulaC26H23F2N3O5
Molecular Weight495.48 g/mol
Exact Mass495.16
IUPAC NameN-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCOc1ccc(-c2cc(NC(=O)CN3C(=O)NC(C)(c4ccccc4)C3=O)ccc2OC(F)F)cc1
InChIInChI=1S/C26H23F2N3O5/c1-26(17-6-4-3-5-7-17)23(33)31(25(34)30-26)15-22(32)29-18-10-13-21(36-24(27)28)20(14-18)16-8-11-19(35-2)12-9-16/h3-14,24H,15H2,1-2H3,(H,29,32)(H,30,34)
InChIKeyZGWNDYIHADGDFJ-UHFFFAOYSA-N
XLogP4.37
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 55369477) is N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is COc1ccc(-c2cc(NC(=O)CN3C(=O)NC(C)(c4ccccc4)C3=O)ccc2OC(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is ZGWNDYIHADGDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O5/c1-26(17-6-4-3-5-7-17)23(33)31(25(34)30-26)15-22(32)29-18-10-13-21(36-24(27)28)20(14-18)16-8-11-19(35-2)12-9-16/h3-14,24H,15H2,1-2H3,(H,29,32)(H,30,34).
What are the key properties of N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 495.48 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 55369477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).