[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C18H19F2N3O5 — CID 8898613

IUPAC[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESO=C(COC(=O)CN1C(=O)NC2(CCCCC2)C1=O)Nc1cc(F)ccc1F
InChIInChI=1S/C18H19F2N3O5/c19-11-4-5-12(20)13(8-11)21-14(24)10-28-15(25)9-23-16(26)18(22-17(23)27)6-2-1-3-7-18/h4-5,8H,1-3,6-7,9-10H2,(H,21,24)(H,22,27)
InChIKeySVRJEAMALKPJOQ-UHFFFAOYSA-N
MW395.36 g/mol
LogP1.70
Rot. Bonds5

About [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 8898613) has the molecular formula C18H19F2N3O5 and a molecular weight of 395.36 g/mol. Its IUPAC name is [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID8898613
Molecular FormulaC18H19F2N3O5
Molecular Weight395.36 g/mol
Exact Mass395.13
IUPAC Name[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESO=C(COC(=O)CN1C(=O)NC2(CCCCC2)C1=O)Nc1cc(F)ccc1F
InChIInChI=1S/C18H19F2N3O5/c19-11-4-5-12(20)13(8-11)21-14(24)10-28-15(25)9-23-16(26)18(22-17(23)27)6-2-1-3-7-18/h4-5,8H,1-3,6-7,9-10H2,(H,21,24)(H,22,27)
InChIKeySVRJEAMALKPJOQ-UHFFFAOYSA-N
XLogP1.70
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 8898613) is [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is O=C(COC(=O)CN1C(=O)NC2(CCCCC2)C1=O)Nc1cc(F)ccc1F.
What is the InChIKey of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is SVRJEAMALKPJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O5/c19-11-4-5-12(20)13(8-11)21-14(24)10-28-15(25)9-23-16(26)18(22-17(23)27)6-2-1-3-7-18/h4-5,8H,1-3,6-7,9-10H2,(H,21,24)(H,22,27).
What are the key properties of [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 395.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 8898613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).