2-(4-bromo-2-methylphenyl)acetohydrazide

C9H11BrN2O — CID 166828738

IUPAC2-(4-bromo-2-methylphenyl)acetohydrazide
SMILESCc1cc(Br)ccc1CC(=O)NN
InChIInChI=1S/C9H11BrN2O/c1-6-4-8(10)3-2-7(6)5-9(13)12-11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyYXGDLEHGEBFFMR-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.29
Rot. Bonds2

About 2-(4-bromo-2-methylphenyl)acetohydrazide

2-(4-bromo-2-methylphenyl)acetohydrazide (PubChem CID 166828738) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)acetohydrazide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)acetohydrazide
PubChem CID166828738
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name2-(4-bromo-2-methylphenyl)acetohydrazide
SMILESCc1cc(Br)ccc1CC(=O)NN
InChIInChI=1S/C9H11BrN2O/c1-6-4-8(10)3-2-7(6)5-9(13)12-11/h2-4H,5,11H2,1H3,(H,12,13)
InChIKeyYXGDLEHGEBFFMR-UHFFFAOYSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-methylphenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide
CID 86798561
2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide
CID 166638837
2-(4-bromo-2-methylphenyl)-N-(2-hydroxyethyl)acetamide
CID 110004740
2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 110005910
2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide
CID 115465253
2-(2,4,5-trimethylphenyl)acetohydrazide
CID 100523227
2-(4-bromo-2-nitrophenyl)acetohydrazide
CID 57010527
N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 54220149
1-(4-bromo-2-methylphenyl)-3-sulfanylpropan-2-one
CID 58139329
(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide
CID 103992341
7-[[2-(4-bromo-2-methylphenyl)acetyl]amino]heptanoic acid
CID 120524083
1-[[2-(4-bromo-2-methylphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 120530997

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)acetohydrazide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)acetohydrazide (CID 166828738) is 2-(4-bromo-2-methylphenyl)acetohydrazide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)acetohydrazide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)acetohydrazide is Cc1cc(Br)ccc1CC(=O)NN.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)acetohydrazide?
The InChIKey is YXGDLEHGEBFFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6-4-8(10)3-2-7(6)5-9(13)12-11/h2-4H,5,11H2,1H3,(H,12,13).
What are the key properties of 2-(4-bromo-2-methylphenyl)acetohydrazide?
2-(4-bromo-2-methylphenyl)acetohydrazide has a molecular weight of 243.10 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)acetohydrazide is sourced from PubChem (CID 166828738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).