3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide

C15H14Br2N2O2 — CID 102774451

IUPAC3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide
SMILESNNC(=O)c1ccc(COCc2cccc(Br)c2)c(Br)c1
InChIInChI=1S/C15H14Br2N2O2/c16-13-3-1-2-10(6-13)8-21-9-12-5-4-11(7-14(12)17)15(20)19-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyPKUAFJFXEWTYGF-UHFFFAOYSA-N
MW414.10 g/mol
LogP3.53
Rot. Bonds5

About 3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide

3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide (PubChem CID 102774451) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide
PubChem CID102774451
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide
SMILESNNC(=O)c1ccc(COCc2cccc(Br)c2)c(Br)c1
InChIInChI=1S/C15H14Br2N2O2/c16-13-3-1-2-10(6-13)8-21-9-12-5-4-11(7-14(12)17)15(20)19-18/h1-7H,8-9,18H2,(H,19,20)
InChIKeyPKUAFJFXEWTYGF-UHFFFAOYSA-N
XLogP3.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 53.53
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-[(4-bromophenyl)methoxymethyl]benzohydrazide
CID 102774450
3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide
CID 102774300
3-bromo-4-(phenoxymethyl)benzohydrazide
CID 102774318
3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide
CID 102774327
2-[4-[(3-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345017
3-bromo-4-(butan-2-yloxymethyl)benzohydrazide
CID 102774399
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170
4-[(3-bromophenoxy)methyl]benzohydrazide
CID 63575146
4-[(3-bromophenyl)methoxymethyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 82806150
3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide
CID 102774440
3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide
CID 106668386
3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide
CID 102774379

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide?
The IUPAC name of 3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide (CID 102774451) is 3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide.
What is the SMILES notation for 3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide?
The canonical SMILES for 3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide is NNC(=O)c1ccc(COCc2cccc(Br)c2)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide?
The InChIKey is PKUAFJFXEWTYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c16-13-3-1-2-10(6-13)8-21-9-12-5-4-11(7-14(12)17)15(20)19-18/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide?
3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide has a molecular weight of 414.10 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide is sourced from PubChem (CID 102774451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).