2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide

C17H19FN4O5 — CID 2701870

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C17H19FN4O5/c18-12-6-5-11(22(26)27)9-13(12)19-14(23)10-21-15(24)17(20-16(21)25)7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,19,23)(H,20,25)
InChIKeyUWXXLNPYQUSTGB-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.32
Rot. Bonds4

About 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide (PubChem CID 2701870) has the molecular formula C17H19FN4O5 and a molecular weight of 378.36 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
PubChem CID2701870
Molecular FormulaC17H19FN4O5
Molecular Weight378.36 g/mol
Exact Mass378.13
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C17H19FN4O5/c18-12-6-5-11(22(26)27)9-13(12)19-14(23)10-21-15(24)17(20-16(21)25)7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,19,23)(H,20,25)
InChIKeyUWXXLNPYQUSTGB-UHFFFAOYSA-N
XLogP2.32
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.32
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[4.6]undecan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide (CID 2701870) is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide is O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide?
The InChIKey is UWXXLNPYQUSTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O5/c18-12-6-5-11(22(26)27)9-13(12)19-14(23)10-21-15(24)17(20-16(21)25)7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2,(H,19,23)(H,20,25).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide has a molecular weight of 378.36 g/mol, XLogP of 2.32, 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[4.6]undecan-3-yl)-N-(2-fluoro-5-nitrophenyl)acetamide is sourced from PubChem (CID 2701870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).