N-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

C13H13ClFN3O3 — CID 7266305

IUPACN-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2F)C1=O
InChIInChI=1S/C13H13ClFN3O3/c1-13(2)11(20)18(12(21)17-13)6-10(19)16-9-5-7(14)3-4-8(9)15/h3-5H,6H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyGNJNZLJQYHMWFV-UHFFFAOYSA-N
MW313.72 g/mol
LogP1.75
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 7266305) has the molecular formula C13H13ClFN3O3 and a molecular weight of 313.72 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID7266305
Molecular FormulaC13H13ClFN3O3
Molecular Weight313.72 g/mol
Exact Mass313.06
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(C)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2F)C1=O
InChIInChI=1S/C13H13ClFN3O3/c1-13(2)11(20)18(12(21)17-13)6-10(19)16-9-5-7(14)3-4-8(9)15/h3-5H,6H2,1-2H3,(H,16,19)(H,17,21)
InChIKeyGNJNZLJQYHMWFV-UHFFFAOYSA-N
XLogP1.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7266430
N-(5-chloro-2-fluorophenyl)-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47092829
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 7240396
N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42918890
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 17419729
N-(2,5-difluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250071
N-(4-chloro-2-fluorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580817
N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8572834
N-(2,4-dibromophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2558770
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 7182030
N-(2,5-difluorophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2583322
N-(4-chloro-2-fluorophenyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 91892515

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 7266305) is N-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide is CC1(C)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2F)C1=O.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is GNJNZLJQYHMWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O3/c1-13(2)11(20)18(12(21)17-13)6-10(19)16-9-5-7(14)3-4-8(9)15/h3-5H,6H2,1-2H3,(H,16,19)(H,17,21).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 313.72 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7266305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).