2-[(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl]acetamide

C13H12FN3O4 — CID 139842640

IUPAC2-[(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl]acetamide
SMILESNC(=O)C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1
InChIInChI=1S/C13H12FN3O4/c14-6-1-2-9-8(3-6)13(11(19)16-12(20)17-13)5-7(21-9)4-10(15)18/h1-3,7H,4-5H2,(H2,15,18)(H2,16,17,19,20)/t7-,13+/m1/s1
InChIKeyZWACMRSLYGZPCV-UHLUBPPHSA-N
MW293.25 g/mol
LogP-0.11
Rot. Bonds2

About 2-[(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl]acetamide

2-[(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl]acetamide (PubChem CID 139842640) has the molecular formula C13H12FN3O4 and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl]acetamide
PubChem CID139842640
Molecular FormulaC13H12FN3O4
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name2-[(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl]acetamide
SMILESNC(=O)C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1
InChIInChI=1S/C13H12FN3O4/c14-6-1-2-9-8(3-6)13(11(19)16-12(20)17-13)5-7(21-9)4-10(15)18/h1-3,7H,4-5H2,(H2,15,18)(H2,16,17,19,20)/t7-,13+/m1/s1
InChIKeyZWACMRSLYGZPCV-UHLUBPPHSA-N
XLogP-0.11
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid
CID 10107688
6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide
CID 19810608
(2S,4R)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carbohydrazide
CID 67845497
(6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate
CID 23165405
6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide
CID 156598204
8-amino-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide
CID 14211296
(2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 139827497
2-(6-fluoro-2,3-dihydro-1-benzofuran-2-yl)acetamide
CID 121345057
2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
CID 13036729
(4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 15572743
6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 19845296
7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 18354311

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl]acetamide?
The IUPAC name of 2-[(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl]acetamide (CID 139842640) is 2-[(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl]acetamide.
What is the SMILES notation for 2-[(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl]acetamide?
The canonical SMILES for 2-[(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl]acetamide is NC(=O)C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1.
What is the InChIKey of 2-[(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl]acetamide?
The InChIKey is ZWACMRSLYGZPCV-UHLUBPPHSA-N. The full InChI is InChI=1S/C13H12FN3O4/c14-6-1-2-9-8(3-6)13(11(19)16-12(20)17-13)5-7(21-9)4-10(15)18/h1-3,7H,4-5H2,(H2,15,18)(H2,16,17,19,20)/t7-,13+/m1/s1.
What are the key properties of 2-[(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl]acetamide?
2-[(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl]acetamide has a molecular weight of 293.25 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl]acetamide is sourced from PubChem (CID 139842640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).