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

C19H16ClF2N3O4 — CID 4037266

IUPAC2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESCC1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccccc2OC(F)F)C1=O
InChIInChI=1S/C19H16ClF2N3O4/c1-19(11-6-2-3-7-12(11)20)16(27)25(18(28)24-19)10-15(26)23-13-8-4-5-9-14(13)29-17(21)22/h2-9,17H,10H2,1H3,(H,23,26)(H,24,28)
InChIKeyJTXPWDISFSCIFP-UHFFFAOYSA-N
MW423.80 g/mol
LogP3.35
Rot. Bonds6

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

2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide (PubChem CID 4037266) has the molecular formula C19H16ClF2N3O4 and a molecular weight of 423.80 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
PubChem CID4037266
Molecular FormulaC19H16ClF2N3O4
Molecular Weight423.80 g/mol
Exact Mass423.08
IUPAC Name2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESCC1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccccc2OC(F)F)C1=O
InChIInChI=1S/C19H16ClF2N3O4/c1-19(11-6-2-3-7-12(11)20)16(27)25(18(28)24-19)10-15(26)23-13-8-4-5-9-14(13)29-17(21)22/h2-9,17H,10H2,1H3,(H,23,26)(H,24,28)
InChIKeyJTXPWDISFSCIFP-UHFFFAOYSA-N
XLogP3.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.80
LogP ≤ 53.35
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-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide (CID 4037266) is 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide is CC1(c2ccccc2Cl)NC(=O)N(CC(=O)Nc2ccccc2OC(F)F)C1=O.
What is the InChIKey of 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is JTXPWDISFSCIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2N3O4/c1-19(11-6-2-3-7-12(11)20)16(27)25(18(28)24-19)10-15(26)23-13-8-4-5-9-14(13)29-17(21)22/h2-9,17H,10H2,1H3,(H,23,26)(H,24,28).
What are the key properties of 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide?
2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 423.80 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 4037266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).