3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide

C15H14Br2N2O2 — CID 102774379

IUPAC3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide
SMILESCc1ccc(OCc2ccc(C(=O)NN)cc2Br)c(Br)c1
InChIInChI=1S/C15H14Br2N2O2/c1-9-2-5-14(13(17)6-9)21-8-11-4-3-10(7-12(11)16)15(20)19-18/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyRALRRVNSCCRMNT-UHFFFAOYSA-N
MW414.10 g/mol
LogP3.70
Rot. Bonds4

About 3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide

3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide (PubChem CID 102774379) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide
PubChem CID102774379
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide
SMILESCc1ccc(OCc2ccc(C(=O)NN)cc2Br)c(Br)c1
InChIInChI=1S/C15H14Br2N2O2/c1-9-2-5-14(13(17)6-9)21-8-11-4-3-10(7-12(11)16)15(20)19-18/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyRALRRVNSCCRMNT-UHFFFAOYSA-N
XLogP3.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-bromo-4-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 102774285
3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide
CID 102774440
3-bromo-4-(phenoxymethyl)benzohydrazide
CID 102774318
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170
3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide
CID 102774300
2-[2-bromo-4-(hydrazinecarbonyl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 54793163
3-bromo-4-[(2,5-dimethylphenyl)methoxy]benzoic acid
CID 45447581
3-bromo-4-ethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 17073866
3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683383
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
3-bromo-4-(butan-2-yloxymethyl)benzohydrazide
CID 102774399
methyl 2-[2-[(2-bromo-4-methylphenoxy)methyl]phenyl]acetate
CID 115460643

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide?
The IUPAC name of 3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide (CID 102774379) is 3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide.
What is the SMILES notation for 3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide?
The canonical SMILES for 3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide is Cc1ccc(OCc2ccc(C(=O)NN)cc2Br)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide?
The InChIKey is RALRRVNSCCRMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c1-9-2-5-14(13(17)6-9)21-8-11-4-3-10(7-12(11)16)15(20)19-18/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide?
3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide has a molecular weight of 414.10 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide is sourced from PubChem (CID 102774379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).