3-[(2-bromophenoxy)methyl]benzohydrazide

C14H13BrN2O2 — CID 840776

IUPAC3-[(2-bromophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1cccc(COc2ccccc2Br)c1
InChIInChI=1S/C14H13BrN2O2/c15-12-6-1-2-7-13(12)19-9-10-4-3-5-11(8-10)14(18)17-16/h1-8H,9,16H2,(H,17,18)
InChIKeyJSXKLQRJLWUDJY-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.63
Rot. Bonds4

About 3-[(2-bromophenoxy)methyl]benzohydrazide

3-[(2-bromophenoxy)methyl]benzohydrazide (PubChem CID 840776) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 3-[(2-bromophenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name3-[(2-bromophenoxy)methyl]benzohydrazide
PubChem CID840776
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name3-[(2-bromophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1cccc(COc2ccccc2Br)c1
InChIInChI=1S/C14H13BrN2O2/c15-12-6-1-2-7-13(12)19-9-10-4-3-5-11(8-10)14(18)17-16/h1-8H,9,16H2,(H,17,18)
InChIKeyJSXKLQRJLWUDJY-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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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenoxy)methyl]benzohydrazide?
The IUPAC name of 3-[(2-bromophenoxy)methyl]benzohydrazide (CID 840776) is 3-[(2-bromophenoxy)methyl]benzohydrazide.
What is the SMILES notation for 3-[(2-bromophenoxy)methyl]benzohydrazide?
The canonical SMILES for 3-[(2-bromophenoxy)methyl]benzohydrazide is NNC(=O)c1cccc(COc2ccccc2Br)c1.
What is the InChIKey of 3-[(2-bromophenoxy)methyl]benzohydrazide?
The InChIKey is JSXKLQRJLWUDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-12-6-1-2-7-13(12)19-9-10-4-3-5-11(8-10)14(18)17-16/h1-8H,9,16H2,(H,17,18).
What are the key properties of 3-[(2-bromophenoxy)methyl]benzohydrazide?
3-[(2-bromophenoxy)methyl]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-[(2-bromophenoxy)methyl]benzohydrazide is sourced from PubChem (CID 840776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).