N-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

C13H12FN3O4 — CID 7756792

IUPACN-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c(F)c1
InChIInChI=1S/C13H12FN3O4/c1-7-3-4-9(8(14)5-7)15-10(18)6-17-12(20)11(19)16(2)13(17)21/h3-5H,6H2,1-2H3,(H,15,18)
InChIKeyCSJYRLXDBASPMX-UHFFFAOYSA-N
MW293.25 g/mol
LogP0.49
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

N-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 7756792) has the molecular formula C13H12FN3O4 and a molecular weight of 293.25 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID7756792
Molecular FormulaC13H12FN3O4
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c(F)c1
InChIInChI=1S/C13H12FN3O4/c1-7-3-4-9(8(14)5-7)15-10(18)6-17-12(20)11(19)16(2)13(17)21/h3-5H,6H2,1-2H3,(H,15,18)
InChIKeyCSJYRLXDBASPMX-UHFFFAOYSA-N
XLogP0.49
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 7757167
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7757122
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 18143143
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 4666685
N-(2,4-difluorophenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 7807414
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 47115199
2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 62102678
N-(2,4-difluorophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 9209393
N-(2-fluoro-4-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 17403289
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9390252

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 7756792) is N-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is Cc1ccc(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is CSJYRLXDBASPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O4/c1-7-3-4-9(8(14)5-7)15-10(18)6-17-12(20)11(19)16(2)13(17)21/h3-5H,6H2,1-2H3,(H,15,18).
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 293.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7756792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).