4-bromo-N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]benzohydrazide

C16H17BrN4O4 — CID 18271743

IUPAC4-bromo-N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]benzohydrazide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN4O4/c17-11-5-3-10(4-6-11)13(23)20-19-12(22)9-21-14(24)16(18-15(21)25)7-1-2-8-16/h3-6H,1-2,7-9H2,(H,18,25)(H,19,22)(H,20,23)
InChIKeySSSGRWLNCUEZRF-UHFFFAOYSA-N
MW409.24 g/mol
LogP1.07
Rot. Bonds3

About 4-bromo-N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]benzohydrazide

4-bromo-N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]benzohydrazide (PubChem CID 18271743) has the molecular formula C16H17BrN4O4 and a molecular weight of 409.24 g/mol. Its IUPAC name is 4-bromo-N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]benzohydrazide
PubChem CID18271743
Molecular FormulaC16H17BrN4O4
Molecular Weight409.24 g/mol
Exact Mass408.04
IUPAC Name4-bromo-N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]benzohydrazide
SMILESO=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN4O4/c17-11-5-3-10(4-6-11)13(23)20-19-12(22)9-21-14(24)16(18-15(21)25)7-1-2-8-16/h3-6H,1-2,7-9H2,(H,18,25)(H,19,22)(H,20,23)
InChIKeySSSGRWLNCUEZRF-UHFFFAOYSA-N
XLogP1.07
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', '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 4-bromo-N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]benzohydrazide (CID 18271743) is 4-bromo-N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]benzohydrazide is O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]benzohydrazide?
The InChIKey is SSSGRWLNCUEZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O4/c17-11-5-3-10(4-6-11)13(23)20-19-12(22)9-21-14(24)16(18-15(21)25)7-1-2-8-16/h3-6H,1-2,7-9H2,(H,18,25)(H,19,22)(H,20,23).
What are the key properties of 4-bromo-N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]benzohydrazide?
4-bromo-N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]benzohydrazide has a molecular weight of 409.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]benzohydrazide is sourced from PubChem (CID 18271743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).