3-bromo-4-(phenoxymethyl)benzohydrazide

C14H13BrN2O2 — CID 102774318

IUPAC3-bromo-4-(phenoxymethyl)benzohydrazide
SMILESNNC(=O)c1ccc(COc2ccccc2)c(Br)c1
InChIInChI=1S/C14H13BrN2O2/c15-13-8-10(14(18)17-16)6-7-11(13)9-19-12-4-2-1-3-5-12/h1-8H,9,16H2,(H,17,18)
InChIKeyUYCSJEHHNHGAKB-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.63
Rot. Bonds4

About 3-bromo-4-(phenoxymethyl)benzohydrazide

3-bromo-4-(phenoxymethyl)benzohydrazide (PubChem CID 102774318) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 3-bromo-4-(phenoxymethyl)benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-(phenoxymethyl)benzohydrazide
PubChem CID102774318
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name3-bromo-4-(phenoxymethyl)benzohydrazide
SMILESNNC(=O)c1ccc(COc2ccccc2)c(Br)c1
InChIInChI=1S/C14H13BrN2O2/c15-13-8-10(14(18)17-16)6-7-11(13)9-19-12-4-2-1-3-5-12/h1-8H,9,16H2,(H,17,18)
InChIKeyUYCSJEHHNHGAKB-UHFFFAOYSA-N
XLogP2.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 52.63
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-bromophenoxy)methyl]benzohydrazide
CID 102774300
3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide
CID 102774327
methyl 3-bromo-4-(phenoxymethyl)benzoate
CID 957497
3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide
CID 102774379
3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide
CID 102774440
3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679171
3-bromo-4-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 102774285
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170
3-bromo-4-[(4-bromophenyl)methoxymethyl]benzohydrazide
CID 102774450
3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide
CID 102774451
3-bromo-4-(butan-2-yloxymethyl)benzohydrazide
CID 102774399
4-[(2-methylphenyl)methoxy]benzohydrazide
CID 17349910

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(phenoxymethyl)benzohydrazide?
The IUPAC name of 3-bromo-4-(phenoxymethyl)benzohydrazide (CID 102774318) is 3-bromo-4-(phenoxymethyl)benzohydrazide.
What is the SMILES notation for 3-bromo-4-(phenoxymethyl)benzohydrazide?
The canonical SMILES for 3-bromo-4-(phenoxymethyl)benzohydrazide is NNC(=O)c1ccc(COc2ccccc2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(phenoxymethyl)benzohydrazide?
The InChIKey is UYCSJEHHNHGAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-13-8-10(14(18)17-16)6-7-11(13)9-19-12-4-2-1-3-5-12/h1-8H,9,16H2,(H,17,18).
What are the key properties of 3-bromo-4-(phenoxymethyl)benzohydrazide?
3-bromo-4-(phenoxymethyl)benzohydrazide has a molecular weight of 321.17 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(phenoxymethyl)benzohydrazide is sourced from PubChem (CID 102774318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).