N-(3-bromo-4-methylphenyl)acetohydrazide

C9H11BrN2O — CID 82293551

IUPACN-(3-bromo-4-methylphenyl)acetohydrazide
SMILESCC(=O)N(N)c1ccc(C)c(Br)c1
InChIInChI=1S/C9H11BrN2O/c1-6-3-4-8(5-9(6)10)12(11)7(2)13/h3-5H,11H2,1-2H3
InChIKeyCJELQMBRXPQXGQ-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.98
Rot. Bonds1

About N-(3-bromo-4-methylphenyl)acetohydrazide

N-(3-bromo-4-methylphenyl)acetohydrazide (PubChem CID 82293551) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)acetohydrazide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)acetohydrazide
PubChem CID82293551
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC NameN-(3-bromo-4-methylphenyl)acetohydrazide
SMILESCC(=O)N(N)c1ccc(C)c(Br)c1
InChIInChI=1S/C9H11BrN2O/c1-6-3-4-8(5-9(6)10)12(11)7(2)13/h3-5H,11H2,1-2H3
InChIKeyCJELQMBRXPQXGQ-UHFFFAOYSA-N
XLogP1.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.98
H-Bond Donors ≤ 51
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

N-(3-bromo-4-methylphenyl)-2-chloro-N-methylacetamide
CID 82093740
1-amino-1-(4-bromo-3-methylphenyl)-3,3-dimethylurea
CID 20519913
3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide
CID 113128676
3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide
CID 113128684
2-(N-acetyl-3-bromo-4-methylanilino)-N-propylacetamide
CID 113173025
2-(N-acetyl-3-bromo-4-methylanilino)-N-butylacetamide
CID 113173029
N-(3-bromo-4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113173034
N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060416
2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide
CID 113173028
3-(N-acetyl-3-bromo-4-methylanilino)-N-butylpropanamide
CID 113128654
N,3-dibromo-4-methyl-N-(4-methylphenyl)aniline
CID 118113905
N-(2-amino-2-oxoethyl)-3-bromo-N,4-dimethylbenzamide
CID 79466936

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)acetohydrazide?
The IUPAC name of N-(3-bromo-4-methylphenyl)acetohydrazide (CID 82293551) is N-(3-bromo-4-methylphenyl)acetohydrazide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)acetohydrazide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)acetohydrazide is CC(=O)N(N)c1ccc(C)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)acetohydrazide?
The InChIKey is CJELQMBRXPQXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6-3-4-8(5-9(6)10)12(11)7(2)13/h3-5H,11H2,1-2H3.
What are the key properties of N-(3-bromo-4-methylphenyl)acetohydrazide?
N-(3-bromo-4-methylphenyl)acetohydrazide has a molecular weight of 243.10 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)acetohydrazide is sourced from PubChem (CID 82293551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).