(2-carbamoyl-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)methyl 2,2-dimethylpropanoate

C18H20FN3O6 — CID 15670760

IUPAC(2-carbamoyl-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCN1C(=O)NC2(CC(C(N)=O)Oc3ccc(F)cc32)C1=O
InChIInChI=1S/C18H20FN3O6/c1-17(2,3)15(25)27-8-22-14(24)18(21-16(22)26)7-12(13(20)23)28-11-5-4-9(19)6-10(11)18/h4-6,12H,7-8H2,1-3H3,(H2,20,23)(H,21,26)
InChIKeyMQLNSEGQFDZYFN-UHFFFAOYSA-N
MW393.37 g/mol
LogP0.76
Rot. Bonds3

About (2-carbamoyl-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)methyl 2,2-dimethylpropanoate

(2-carbamoyl-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)methyl 2,2-dimethylpropanoate (PubChem CID 15670760) has the molecular formula C18H20FN3O6 and a molecular weight of 393.37 g/mol. Its IUPAC name is (2-carbamoyl-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-carbamoyl-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)methyl 2,2-dimethylpropanoate
PubChem CID15670760
Molecular FormulaC18H20FN3O6
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name(2-carbamoyl-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCN1C(=O)NC2(CC(C(N)=O)Oc3ccc(F)cc32)C1=O
InChIInChI=1S/C18H20FN3O6/c1-17(2,3)15(25)27-8-22-14(24)18(21-16(22)26)7-12(13(20)23)28-11-5-4-9(19)6-10(11)18/h4-6,12H,7-8H2,1-3H3,(H2,20,23)(H,21,26)
InChIKeyMQLNSEGQFDZYFN-UHFFFAOYSA-N
XLogP0.76
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-carbamoyl-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (2-carbamoyl-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)methyl 2,2-dimethylpropanoate (CID 15670760) is (2-carbamoyl-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (2-carbamoyl-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (2-carbamoyl-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCN1C(=O)NC2(CC(C(N)=O)Oc3ccc(F)cc32)C1=O.
What is the InChIKey of (2-carbamoyl-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is MQLNSEGQFDZYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O6/c1-17(2,3)15(25)27-8-22-14(24)18(21-16(22)26)7-12(13(20)23)28-11-5-4-9(19)6-10(11)18/h4-6,12H,7-8H2,1-3H3,(H2,20,23)(H,21,26).
What are the key properties of (2-carbamoyl-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)methyl 2,2-dimethylpropanoate?
(2-carbamoyl-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 393.37 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoyl-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 15670760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).