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

C20H17F4N3O5 — CID 5035394

IUPACN-[4-(difluoromethoxy)phenyl]-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C20H17F4N3O5/c1-20(11-2-6-13(7-3-11)31-17(21)22)16(29)27(19(30)26-20)10-15(28)25-12-4-8-14(9-5-12)32-18(23)24/h2-9,17-18H,10H2,1H3,(H,25,28)(H,26,30)
InChIKeyWRYYOJKITLPFBY-UHFFFAOYSA-N
MW455.36 g/mol
LogP3.30
Rot. Bonds8

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

N-[4-(difluoromethoxy)phenyl]-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 5035394) has the molecular formula C20H17F4N3O5 and a molecular weight of 455.36 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID5035394
Molecular FormulaC20H17F4N3O5
Molecular Weight455.36 g/mol
Exact Mass455.11
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O
InChIInChI=1S/C20H17F4N3O5/c1-20(11-2-6-13(7-3-11)31-17(21)22)16(29)27(19(30)26-20)10-15(28)25-12-4-8-14(9-5-12)32-18(23)24/h2-9,17-18H,10H2,1H3,(H,25,28)(H,26,30)
InChIKeyWRYYOJKITLPFBY-UHFFFAOYSA-N
XLogP3.30
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 53.30
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)phenyl]-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 5035394) is N-[4-(difluoromethoxy)phenyl]-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)Nc2ccc(OC(F)F)cc2)C1=O.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is WRYYOJKITLPFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N3O5/c1-20(11-2-6-13(7-3-11)31-17(21)22)16(29)27(19(30)26-20)10-15(28)25-12-4-8-14(9-5-12)32-18(23)24/h2-9,17-18H,10H2,1H3,(H,25,28)(H,26,30).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 455.36 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 5035394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).