2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

C18H20FN3O3 — CID 94814483

IUPAC2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O
InChIInChI=1S/C18H20FN3O3/c1-4-10-21(11-5-2)15(23)12-22-16(24)18(3,20-17(22)25)13-8-6-7-9-14(13)19/h4-9H,1-2,10-12H2,3H3,(H,20,25)/t18-/m0/s1
InChIKeyWYGAVOJQBQSSJN-SFHVURJKSA-N
MW345.37 g/mol
LogP1.79
Rot. Bonds7

About 2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 94814483) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID94814483
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O
InChIInChI=1S/C18H20FN3O3/c1-4-10-21(11-5-2)15(23)12-22-16(24)18(3,20-17(22)25)13-8-6-7-9-14(13)19/h4-9H,1-2,10-12H2,3H3,(H,20,25)/t18-/m0/s1
InChIKeyWYGAVOJQBQSSJN-SFHVURJKSA-N
XLogP1.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.79
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

N-cyclopropyl-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 47082477
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 94815323
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 4790492
(5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 94797964
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 94800969
N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 94815011
3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 94216458
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-prop-2-enylacetamide
CID 78621928
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
CID 94818608
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 52511426
5-(2-fluorophenyl)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60597012
2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethyl-N-phenylacetamide
CID 51191064

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (CID 94814483) is 2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O.
What is the InChIKey of 2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is WYGAVOJQBQSSJN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-4-10-21(11-5-2)15(23)12-22-16(24)18(3,20-17(22)25)13-8-6-7-9-14(13)19/h4-9H,1-2,10-12H2,3H3,(H,20,25)/t18-/m0/s1.
What are the key properties of 2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 345.37 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 94814483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).