3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide

C13H14FN3O3 — CID 94216458

IUPAC3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESC[C@]1(c2ccccc2F)NC(=O)N(CCC(N)=O)C1=O
InChIInChI=1S/C13H14FN3O3/c1-13(8-4-2-3-5-9(8)14)11(19)17(12(20)16-13)7-6-10(15)18/h2-5H,6-7H2,1H3,(H2,15,18)(H,16,20)/t13-/m1/s1
InChIKeyACRMNVPNPNUUAN-CYBMUJFWSA-N
MW279.27 g/mol
LogP0.47
Rot. Bonds4

About 3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide

3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide (PubChem CID 94216458) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
PubChem CID94216458
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESC[C@]1(c2ccccc2F)NC(=O)N(CCC(N)=O)C1=O
InChIInChI=1S/C13H14FN3O3/c1-13(8-4-2-3-5-9(8)14)11(19)17(12(20)16-13)7-6-10(15)18/h2-5H,6-7H2,1H3,(H2,15,18)(H,16,20)/t13-/m1/s1
InChIKeyACRMNVPNPNUUAN-CYBMUJFWSA-N
XLogP0.47
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.47
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

4-[[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 94798623
(5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 95589593
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 94815323
(5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 94797964
(5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 94821877
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 94800969
N-cyclopropyl-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 47082477
(5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 52780588
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 94814483
N-(2,5-dimethylpyrazol-3-yl)-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 60597275
2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
CID 94818608
N-cyclohexyl-2-[(4S)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 94815011

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The IUPAC name of 3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide (CID 94216458) is 3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide.
What is the SMILES notation for 3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The canonical SMILES for 3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide is C[C@]1(c2ccccc2F)NC(=O)N(CCC(N)=O)C1=O.
What is the InChIKey of 3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The InChIKey is ACRMNVPNPNUUAN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-13(8-4-2-3-5-9(8)14)11(19)17(12(20)16-13)7-6-10(15)18/h2-5H,6-7H2,1H3,(H2,15,18)(H,16,20)/t13-/m1/s1.
What are the key properties of 3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide has a molecular weight of 279.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide is sourced from PubChem (CID 94216458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).