2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide

C16H17FN4O5 — CID 2622705

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C16H17FN4O5/c17-11-5-4-10(21(25)26)8-12(11)18-13(22)9-20-14(23)16(19-15(20)24)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,18,22)(H,19,24)
InChIKeyCONGYZOFANXGEJ-UHFFFAOYSA-N
MW364.33 g/mol
LogP1.93
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide (PubChem CID 2622705) has the molecular formula C16H17FN4O5 and a molecular weight of 364.33 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
PubChem CID2622705
Molecular FormulaC16H17FN4O5
Molecular Weight364.33 g/mol
Exact Mass364.12
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C16H17FN4O5/c17-11-5-4-10(21(25)26)8-12(11)18-13(22)9-20-14(23)16(19-15(20)24)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,18,22)(H,19,24)
InChIKeyCONGYZOFANXGEJ-UHFFFAOYSA-N
XLogP1.93
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide (CID 2622705) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide is O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide?
The InChIKey is CONGYZOFANXGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O5/c17-11-5-4-10(21(25)26)8-12(11)18-13(22)9-20-14(23)16(19-15(20)24)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,18,22)(H,19,24).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide has a molecular weight of 364.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide is sourced from PubChem (CID 2622705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).