(5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione

C17H15FN2O4 — CID 94814004

IUPAC(5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc(F)cc3)C2=O)o1
InChIInChI=1S/C17H15FN2O4/c1-10-3-8-14(24-10)17(2)15(22)20(16(23)19-17)9-13(21)11-4-6-12(18)7-5-11/h3-8H,9H2,1-2H3,(H,19,23)/t17-/m0/s1
InChIKeyXRSOMTIDNZCPJS-KRWDZBQOSA-N
MW330.32 g/mol
LogP2.38
Rot. Bonds4

About (5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione

(5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione (PubChem CID 94814004) has the molecular formula C17H15FN2O4 and a molecular weight of 330.32 g/mol. Its IUPAC name is (5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
PubChem CID94814004
Molecular FormulaC17H15FN2O4
Molecular Weight330.32 g/mol
Exact Mass330.10
IUPAC Name(5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc(F)cc3)C2=O)o1
InChIInChI=1S/C17H15FN2O4/c1-10-3-8-14(24-10)17(2)15(22)20(16(23)19-17)9-13(21)11-4-6-12(18)7-5-11/h3-8H,9H2,1-2H3,(H,19,23)/t17-/m0/s1
InChIKeyXRSOMTIDNZCPJS-KRWDZBQOSA-N
XLogP2.38
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47092818
N-(ethylcarbamoyl)-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51106021
N-(5-chloro-2-fluorophenyl)-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47092829
(5R)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-thiophen-3-ylimidazolidine-2,4-dione
CID 94812329
5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
CID 51259389
2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 94814614
N-[(4-chlorophenyl)methyl]-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51132253
(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 41142691
2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 60617450
N-(2,3-dimethylphenyl)-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 52510822
N-(2-chlorophenyl)-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 52512676
N-(2,3-dimethylphenyl)-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51132252

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione (CID 94814004) is (5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione is Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccc(F)cc3)C2=O)o1.
What is the InChIKey of (5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
The InChIKey is XRSOMTIDNZCPJS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H15FN2O4/c1-10-3-8-14(24-10)17(2)15(22)20(16(23)19-17)9-13(21)11-4-6-12(18)7-5-11/h3-8H,9H2,1-2H3,(H,19,23)/t17-/m0/s1.
What are the key properties of (5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione?
(5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione has a molecular weight of 330.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-5-(5-methylfuran-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 94814004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).