N'-(2-bromoacetyl)-4-methylbenzohydrazide

C10H11BrN2O2 — CID 54560868

IUPACN'-(2-bromoacetyl)-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CBr)cc1
InChIInChI=1S/C10H11BrN2O2/c1-7-2-4-8(5-3-7)10(15)13-12-9(14)6-11/h2-5H,6H2,1H3,(H,12,14)(H,13,15)
InChIKeyZQLISKLMMJEBAD-UHFFFAOYSA-N
MW271.11 g/mol
LogP1.15
Rot. Bonds2

About N'-(2-bromoacetyl)-4-methylbenzohydrazide

N'-(2-bromoacetyl)-4-methylbenzohydrazide (PubChem CID 54560868) has the molecular formula C10H11BrN2O2 and a molecular weight of 271.11 g/mol. Its IUPAC name is N'-(2-bromoacetyl)-4-methylbenzohydrazide.

Molecular Properties

Compound NameN'-(2-bromoacetyl)-4-methylbenzohydrazide
PubChem CID54560868
Molecular FormulaC10H11BrN2O2
Molecular Weight271.11 g/mol
Exact Mass270.00
IUPAC NameN'-(2-bromoacetyl)-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CBr)cc1
InChIInChI=1S/C10H11BrN2O2/c1-7-2-4-8(5-3-7)10(15)13-12-9(14)6-11/h2-5H,6H2,1H3,(H,12,14)(H,13,15)
InChIKeyZQLISKLMMJEBAD-UHFFFAOYSA-N
XLogP1.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[(4-methylbenzoyl)amino]urea
CID 3271870
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
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ethane;4-methylbenzohydrazide
CID 143952809
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
4-methyl-N'-[3-(4-methylphenyl)sulfonylpropanoyl]benzohydrazide
CID 9476163
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate
CID 2506262
N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925419
N'-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-4-methylbenzohydrazide
CID 9366282
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide
CID 7479562
N-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide
CID 3334492

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromoacetyl)-4-methylbenzohydrazide?
The IUPAC name of N'-(2-bromoacetyl)-4-methylbenzohydrazide (CID 54560868) is N'-(2-bromoacetyl)-4-methylbenzohydrazide.
What is the SMILES notation for N'-(2-bromoacetyl)-4-methylbenzohydrazide?
The canonical SMILES for N'-(2-bromoacetyl)-4-methylbenzohydrazide is Cc1ccc(C(=O)NNC(=O)CBr)cc1.
What is the InChIKey of N'-(2-bromoacetyl)-4-methylbenzohydrazide?
The InChIKey is ZQLISKLMMJEBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O2/c1-7-2-4-8(5-3-7)10(15)13-12-9(14)6-11/h2-5H,6H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N'-(2-bromoacetyl)-4-methylbenzohydrazide?
N'-(2-bromoacetyl)-4-methylbenzohydrazide has a molecular weight of 271.11 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromoacetyl)-4-methylbenzohydrazide is sourced from PubChem (CID 54560868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).