2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C13H14FN3O3 — CID 86932561

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C13H14FN3O3/c1-16(7-9-4-2-3-5-10(9)14)12(19)8-17-11(18)6-15-13(17)20/h2-5H,6-8H2,1H3,(H,15,20)
InChIKeyJZKCRSYOUYEVEN-UHFFFAOYSA-N
MW279.27 g/mol
LogP0.34
Rot. Bonds4

About 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 86932561) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID86932561
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C13H14FN3O3/c1-16(7-9-4-2-3-5-10(9)14)12(19)8-17-11(18)6-15-13(17)20/h2-5H,6-8H2,1H3,(H,15,20)
InChIKeyJZKCRSYOUYEVEN-UHFFFAOYSA-N
XLogP0.34
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 86824770
N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 32757789
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 8572195
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570181
2-(2,5-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 64980761
2-(azetidin-3-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 64616563
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
N-[(2-fluorophenyl)methyl]-N-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)acetamide
CID 71851650
2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119917364
3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 55027475
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 119926329

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 86932561) is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1F)C(=O)CN1C(=O)CNC1=O.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is JZKCRSYOUYEVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-16(7-9-4-2-3-5-10(9)14)12(19)8-17-11(18)6-15-13(17)20/h2-5H,6-8H2,1H3,(H,15,20).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 279.27 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 86932561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).