2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide

C18H13Cl2FN4O5 — CID 3873765

IUPAC2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
SMILESCC1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C18H13Cl2FN4O5/c1-18(11-4-2-9(19)6-12(11)20)16(27)24(17(28)23-18)8-15(26)22-10-3-5-13(21)14(7-10)25(29)30/h2-7H,8H2,1H3,(H,22,26)(H,23,28)
InChIKeyFXMSBMRLCVFZEK-UHFFFAOYSA-N
MW455.23 g/mol
LogP3.45
Rot. Bonds5

About 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide

2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide (PubChem CID 3873765) has the molecular formula C18H13Cl2FN4O5 and a molecular weight of 455.23 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
PubChem CID3873765
Molecular FormulaC18H13Cl2FN4O5
Molecular Weight455.23 g/mol
Exact Mass454.02
IUPAC Name2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide
SMILESCC1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C18H13Cl2FN4O5/c1-18(11-4-2-9(19)6-12(11)20)16(27)24(17(28)23-18)8-15(26)22-10-3-5-13(21)14(7-10)25(29)30/h2-7H,8H2,1H3,(H,22,26)(H,23,28)
InChIKeyFXMSBMRLCVFZEK-UHFFFAOYSA-N
XLogP3.45
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.23
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 5154012
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 4967480
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 24659823
2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2081835
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2703032
2-[4-(3,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 46638683
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 42982801
N-(2-chlorophenyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4966212
3-[(4R)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 51954629
N-[4-(azepan-1-yl)phenyl]-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41139200
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 42921192
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-5-nitrophenyl)acetamide
CID 2702285

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide (CID 3873765) is 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide is CC1(c2ccc(Cl)cc2Cl)NC(=O)N(CC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1=O.
What is the InChIKey of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide?
The InChIKey is FXMSBMRLCVFZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN4O5/c1-18(11-4-2-9(19)6-12(11)20)16(27)24(17(28)23-18)8-15(26)22-10-3-5-13(21)14(7-10)25(29)30/h2-7H,8H2,1H3,(H,22,26)(H,23,28).
What are the key properties of 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide?
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide has a molecular weight of 455.23 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluoro-3-nitrophenyl)acetamide is sourced from PubChem (CID 3873765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).