6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide

C16H18FN3O6 — CID 156598204

IUPAC6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide
SMILESO=C1NC(=O)C2(CC(C(=O)N(CCO)CCO)Oc3ccc(F)cc32)N1
InChIInChI=1S/C16H18FN3O6/c17-9-1-2-11-10(7-9)16(14(24)18-15(25)19-16)8-12(26-11)13(23)20(3-5-21)4-6-22/h1-2,7,12,21-22H,3-6,8H2,(H2,18,19,24,25)
InChIKeyRUASFCBFDRUMOW-UHFFFAOYSA-N
MW367.33 g/mol
LogP-1.18
Rot. Bonds5

About 6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide

6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide (PubChem CID 156598204) has the molecular formula C16H18FN3O6 and a molecular weight of 367.33 g/mol. Its IUPAC name is 6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide
PubChem CID156598204
Molecular FormulaC16H18FN3O6
Molecular Weight367.33 g/mol
Exact Mass367.12
IUPAC Name6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide
SMILESO=C1NC(=O)C2(CC(C(=O)N(CCO)CCO)Oc3ccc(F)cc32)N1
InChIInChI=1S/C16H18FN3O6/c17-9-1-2-11-10(7-9)16(14(24)18-15(25)19-16)8-12(26-11)13(23)20(3-5-21)4-6-22/h1-2,7,12,21-22H,3-6,8H2,(H2,18,19,24,25)
InChIKeyRUASFCBFDRUMOW-UHFFFAOYSA-N
XLogP-1.18
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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
2-[(2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl]acetamide
CID 139842640
(6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-yl) hydrogen carbonate
CID 23165405
(2R,4R)-6-fluoro-2-[4-(2-phenylethyl)piperazine-1-carbonyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 139827497
8-amino-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide
CID 14211296
(4S)-8-deuterio-6-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 15572743
2,2-diethyl-6-fluorospiro[3H-chromene-4,5'-imidazolidine]-2',4'-dione
CID 13036729
7-fluorospiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 18354311
(2-carbamoyl-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)methyl 2,2-dimethylpropanoate
CID 15670760
6-chloro-2-hexylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 19845296

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide?
The IUPAC name of 6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide (CID 156598204) is 6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide.
What is the SMILES notation for 6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide?
The canonical SMILES for 6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide is O=C1NC(=O)C2(CC(C(=O)N(CCO)CCO)Oc3ccc(F)cc32)N1.
What is the InChIKey of 6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide?
The InChIKey is RUASFCBFDRUMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O6/c17-9-1-2-11-10(7-9)16(14(24)18-15(25)19-16)8-12(26-11)13(23)20(3-5-21)4-6-22/h1-2,7,12,21-22H,3-6,8H2,(H2,18,19,24,25).
What are the key properties of 6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide?
6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide has a molecular weight of 367.33 g/mol, XLogP of -1.18, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,N-bis(2-hydroxyethyl)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxamide is sourced from PubChem (CID 156598204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).