(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

C22H17FN2O3 — CID 8675905

IUPAC(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESC[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2cccc(F)c2)C1=O
InChIInChI=1S/C22H17FN2O3/c1-22(18-11-5-7-14-6-2-3-10-17(14)18)20(27)25(21(28)24-22)13-19(26)15-8-4-9-16(23)12-15/h2-12H,13H2,1H3,(H,24,28)/t22-/m0/s1
InChIKeyCLGMTVQAXFZDLF-QFIPXVFZSA-N
MW376.39 g/mol
LogP3.63
Rot. Bonds4

About (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 8675905) has the molecular formula C22H17FN2O3 and a molecular weight of 376.39 g/mol. Its IUPAC name is (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID8675905
Molecular FormulaC22H17FN2O3
Molecular Weight376.39 g/mol
Exact Mass376.12
IUPAC Name(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESC[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2cccc(F)c2)C1=O
InChIInChI=1S/C22H17FN2O3/c1-22(18-11-5-7-14-6-2-3-10-17(14)18)20(27)25(21(28)24-22)13-19(26)15-8-4-9-16(23)12-15/h2-12H,13H2,1H3,(H,24,28)/t22-/m0/s1
InChIKeyCLGMTVQAXFZDLF-QFIPXVFZSA-N
XLogP3.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.63
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

3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42971848
(5S)-5-methyl-5-naphthalen-1-yl-3-[2-oxo-2-(4-propylphenyl)ethyl]imidazolidine-2,4-dione
CID 7179916
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 94815323
(5S)-5-methyl-5-naphthalen-1-yl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]imidazolidine-2,4-dione
CID 7242837
5-methyl-3-(2-methylprop-2-enyl)-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 17405528
N-(3-acetylphenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180056
(5R)-5-methyl-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7242817
3-ethyl-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42915150
2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2704464
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 4882182
(5R)-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 8666937
(5S)-3-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 7180107

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 8675905) is (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2cccc(F)c2)C1=O.
What is the InChIKey of (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is CLGMTVQAXFZDLF-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H17FN2O3/c1-22(18-11-5-7-14-6-2-3-10-17(14)18)20(27)25(21(28)24-22)13-19(26)15-8-4-9-16(23)12-15/h2-12H,13H2,1H3,(H,24,28)/t22-/m0/s1.
What are the key properties of (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 376.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 8675905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).