4-bromo-N'-(cyclobutanecarbonyl)benzohydrazide

C12H13BrN2O2 — CID 2653159

IUPAC4-bromo-N'-(cyclobutanecarbonyl)benzohydrazide
SMILESO=C(NNC(=O)C1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O2/c13-10-6-4-9(5-7-10)12(17)15-14-11(16)8-2-1-3-8/h4-8H,1-3H2,(H,14,16)(H,15,17)
InChIKeyHZCHCBGEVWDERT-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.01
Rot. Bonds2

About 4-bromo-N'-(cyclobutanecarbonyl)benzohydrazide

4-bromo-N'-(cyclobutanecarbonyl)benzohydrazide (PubChem CID 2653159) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 4-bromo-N'-(cyclobutanecarbonyl)benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-(cyclobutanecarbonyl)benzohydrazide
PubChem CID2653159
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name4-bromo-N'-(cyclobutanecarbonyl)benzohydrazide
SMILESO=C(NNC(=O)C1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O2/c13-10-6-4-9(5-7-10)12(17)15-14-11(16)8-2-1-3-8/h4-8H,1-3H2,(H,14,16)(H,15,17)
InChIKeyHZCHCBGEVWDERT-UHFFFAOYSA-N
XLogP2.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'-(cyclobutanecarbonyl)benzohydrazide?
The IUPAC name of 4-bromo-N'-(cyclobutanecarbonyl)benzohydrazide (CID 2653159) is 4-bromo-N'-(cyclobutanecarbonyl)benzohydrazide.
What is the SMILES notation for 4-bromo-N'-(cyclobutanecarbonyl)benzohydrazide?
The canonical SMILES for 4-bromo-N'-(cyclobutanecarbonyl)benzohydrazide is O=C(NNC(=O)C1CCC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-(cyclobutanecarbonyl)benzohydrazide?
The InChIKey is HZCHCBGEVWDERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-10-6-4-9(5-7-10)12(17)15-14-11(16)8-2-1-3-8/h4-8H,1-3H2,(H,14,16)(H,15,17).
What are the key properties of 4-bromo-N'-(cyclobutanecarbonyl)benzohydrazide?
4-bromo-N'-(cyclobutanecarbonyl)benzohydrazide has a molecular weight of 297.15 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-(cyclobutanecarbonyl)benzohydrazide is sourced from PubChem (CID 2653159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).