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

C15H16FN3O3 — CID 86824770

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccccc1F)C(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C15H16FN3O3/c1-2-7-18(9-11-5-3-4-6-12(11)16)14(21)10-19-13(20)8-17-15(19)22/h2-6H,1,7-10H2,(H,17,22)
InChIKeyZBFDLKAJWFKTII-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.89
Rot. Bonds6

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

2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide (PubChem CID 86824770) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
PubChem CID86824770
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccccc1F)C(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C15H16FN3O3/c1-2-7-18(9-11-5-3-4-6-12(11)16)14(21)10-19-13(20)8-17-15(19)22/h2-6H,1,7-10H2,(H,17,22)
InChIKeyZBFDLKAJWFKTII-UHFFFAOYSA-N
XLogP0.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 86932561
N-[(2-fluorophenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-prop-2-enylacetamide
CID 55920767
N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 84571244
7-amino-N-[(2-fluorophenyl)methyl]-N-prop-2-enylheptanamide
CID 119746541
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide
CID 51089353
3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid
CID 122019259
4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N,N-bis(prop-2-enyl)benzamide
CID 78805985
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 94814483
N-[(2-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)-N-prop-2-enylbenzamide
CID 55920117
3-[2-(4-fluorophenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 55027475
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methyl-N-prop-2-enylpiperidine-4-carboxamide;hydrochloride
CID 120625240
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 110686766

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide (CID 86824770) is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide is C=CCN(Cc1ccccc1F)C(=O)CN1C(=O)CNC1=O.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide?
The InChIKey is ZBFDLKAJWFKTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-2-7-18(9-11-5-3-4-6-12(11)16)14(21)10-19-13(20)8-17-15(19)22/h2-6H,1,7-10H2,(H,17,22).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-prop-2-enylacetamide has a molecular weight of 305.31 g/mol, XLogP of 0.89, 6 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-prop-2-enylacetamide is sourced from PubChem (CID 86824770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).