N'-(4-bromophenyl)acetohydrazide

C8H9BrN2O — CID 615522

IUPACN'-(4-bromophenyl)acetohydrazide
SMILESCC(=O)NNc1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2O/c1-6(12)10-11-8-4-2-7(9)3-5-8/h2-5,11H,1H3,(H,10,12)
InChIKeyTXIZEHFTRRBEMY-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.91
Rot. Bonds2

About N'-(4-bromophenyl)acetohydrazide

N'-(4-bromophenyl)acetohydrazide (PubChem CID 615522) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is N'-(4-bromophenyl)acetohydrazide.

Molecular Properties

Compound NameN'-(4-bromophenyl)acetohydrazide
PubChem CID615522
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC NameN'-(4-bromophenyl)acetohydrazide
SMILESCC(=O)NNc1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2O/c1-6(12)10-11-8-4-2-7(9)3-5-8/h2-5,11H,1H3,(H,10,12)
InChIKeyTXIZEHFTRRBEMY-UHFFFAOYSA-N
XLogP1.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.91
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 N'-(4-bromophenyl)acetohydrazide?
The IUPAC name of N'-(4-bromophenyl)acetohydrazide (CID 615522) is N'-(4-bromophenyl)acetohydrazide.
What is the SMILES notation for N'-(4-bromophenyl)acetohydrazide?
The canonical SMILES for N'-(4-bromophenyl)acetohydrazide is CC(=O)NNc1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)acetohydrazide?
The InChIKey is TXIZEHFTRRBEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c1-6(12)10-11-8-4-2-7(9)3-5-8/h2-5,11H,1H3,(H,10,12).
What are the key properties of N'-(4-bromophenyl)acetohydrazide?
N'-(4-bromophenyl)acetohydrazide has a molecular weight of 229.08 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)acetohydrazide is sourced from PubChem (CID 615522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).