3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide

C14H12Br2N2O2 — CID 102774300

IUPAC3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(COc2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C14H12Br2N2O2/c15-11-3-5-12(6-4-11)20-8-10-2-1-9(7-13(10)16)14(19)18-17/h1-7H,8,17H2,(H,18,19)
InChIKeyNLWPUCBBUYVCJX-UHFFFAOYSA-N
MW400.07 g/mol
LogP3.39
Rot. Bonds4

About 3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide

3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide (PubChem CID 102774300) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is 3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide
PubChem CID102774300
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC Name3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(COc2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C14H12Br2N2O2/c15-11-3-5-12(6-4-11)20-8-10-2-1-9(7-13(10)16)14(19)18-17/h1-7H,8,17H2,(H,18,19)
InChIKeyNLWPUCBBUYVCJX-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 53.39
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'}

Analyze 3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-(phenoxymethyl)benzohydrazide
CID 102774318
3-bromo-4-[(4-bromophenyl)methoxymethyl]benzohydrazide
CID 102774450
3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide
CID 102774327
3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide
CID 102774379
3-bromo-4-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 102774285
3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide
CID 102774451
3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide
CID 102774440
3-bromo-4-(butan-2-yloxymethyl)benzohydrazide
CID 102774399
methyl 3-bromo-4-(phenoxymethyl)benzoate
CID 957497
2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide
CID 105351408
N-[(Z)-[4-[(2,4-dibromophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
CID 126193121
methyl 3-bromo-4-[(3,4-dimethylphenoxy)methyl]benzoate
CID 957502

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide?
The IUPAC name of 3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide (CID 102774300) is 3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide.
What is the SMILES notation for 3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide?
The canonical SMILES for 3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide is NNC(=O)c1ccc(COc2ccc(Br)cc2)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide?
The InChIKey is NLWPUCBBUYVCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c15-11-3-5-12(6-4-11)20-8-10-2-1-9(7-13(10)16)14(19)18-17/h1-7H,8,17H2,(H,18,19).
What are the key properties of 3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide?
3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide has a molecular weight of 400.07 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide is sourced from PubChem (CID 102774300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).