3-iodo-4-methylbenzohydrazide

C8H9IN2O — CID 59732500

IUPAC3-iodo-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NN)cc1I
InChIInChI=1S/C8H9IN2O/c1-5-2-3-6(4-7(5)9)8(12)11-10/h2-4H,10H2,1H3,(H,11,12)
InChIKeyVQGDQPOOMVSHNX-UHFFFAOYSA-N
MW276.08 g/mol
LogP1.20
Rot. Bonds1

About 3-iodo-4-methylbenzohydrazide

3-iodo-4-methylbenzohydrazide (PubChem CID 59732500) has the molecular formula C8H9IN2O and a molecular weight of 276.08 g/mol. Its IUPAC name is 3-iodo-4-methylbenzohydrazide.

Molecular Properties

Compound Name3-iodo-4-methylbenzohydrazide
PubChem CID59732500
Molecular FormulaC8H9IN2O
Molecular Weight276.08 g/mol
Exact Mass275.98
IUPAC Name3-iodo-4-methylbenzohydrazide
SMILESCc1ccc(C(=O)NN)cc1I
InChIInChI=1S/C8H9IN2O/c1-5-2-3-6(4-7(5)9)8(12)11-10/h2-4H,10H2,1H3,(H,11,12)
InChIKeyVQGDQPOOMVSHNX-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.08
LogP ≤ 51.20
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide
CID 119524913
N-(4-acetamidophenyl)-3-iodo-4-methylbenzamide
CID 1014195
N-[3-(aminomethyl)pentan-3-yl]-3-iodo-4-methylbenzamide;hydrochloride
CID 119571856
4-methyl-3-(trifluoromethyl)benzohydrazide
CID 58139383
3-iodo-N-[2-[(3-iodo-4-methylbenzoyl)amino]propyl]-4-methylbenzamide
CID 4531308
N-(3-carbamoylphenyl)-3-iodo-4-methylbenzamide
CID 26160460
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide
CID 4936097
3-amino-N-(3-iodo-4-methylphenyl)-4-methylbenzamide
CID 43707949
3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzohydrazide
CID 118443940
methyl 4-(hydrazinecarbonyl)-2-methylbenzoate
CID 162059999
3-methyl-4-propan-2-ylbenzohydrazide
CID 130427973

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methylbenzohydrazide?
The IUPAC name of 3-iodo-4-methylbenzohydrazide (CID 59732500) is 3-iodo-4-methylbenzohydrazide.
What is the SMILES notation for 3-iodo-4-methylbenzohydrazide?
The canonical SMILES for 3-iodo-4-methylbenzohydrazide is Cc1ccc(C(=O)NN)cc1I.
What is the InChIKey of 3-iodo-4-methylbenzohydrazide?
The InChIKey is VQGDQPOOMVSHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O/c1-5-2-3-6(4-7(5)9)8(12)11-10/h2-4H,10H2,1H3,(H,11,12).
What are the key properties of 3-iodo-4-methylbenzohydrazide?
3-iodo-4-methylbenzohydrazide has a molecular weight of 276.08 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methylbenzohydrazide is sourced from PubChem (CID 59732500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).