4-[(3-bromophenoxy)methyl]benzohydrazide

C14H13BrN2O2 — CID 63575146

IUPAC4-[(3-bromophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(COc2cccc(Br)c2)cc1
InChIInChI=1S/C14H13BrN2O2/c15-12-2-1-3-13(8-12)19-9-10-4-6-11(7-5-10)14(18)17-16/h1-8H,9,16H2,(H,17,18)
InChIKeyUJWSXVVPDZOJOS-UHFFFAOYSA-N
MW321.17 g/mol
LogP2.63
Rot. Bonds4

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

4-[(3-bromophenoxy)methyl]benzohydrazide (PubChem CID 63575146) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 4-[(3-bromophenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name4-[(3-bromophenoxy)methyl]benzohydrazide
PubChem CID63575146
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name4-[(3-bromophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(COc2cccc(Br)c2)cc1
InChIInChI=1S/C14H13BrN2O2/c15-12-2-1-3-13(8-12)19-9-10-4-6-11(7-5-10)14(18)17-16/h1-8H,9,16H2,(H,17,18)
InChIKeyUJWSXVVPDZOJOS-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

4-[(3-chlorophenoxy)methyl]benzohydrazide
CID 7022246
4-[(3-bromophenoxy)methyl]benzenecarboximidamide
CID 24705552
4-[(3-bromophenoxy)methyl]benzenecarboximidamide;hydrochloride
CID 82253881
5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576178
6-[(3-bromophenoxy)methyl]pyridine-2-carbohydrazide
CID 106908833
4-[(4-phenylphenoxy)methyl]benzohydrazide
CID 2368822
3-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91682824
4-[(2,6-dimethylphenoxy)methyl]benzohydrazide
CID 7174125
[5-[(3-bromophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62246032
3-[[3-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63569868
4-[(3-bromophenoxy)methyl]-5-methylthiophene-2-carbohydrazide
CID 80733439
4-[(3-bromophenyl)methoxy]benzamide
CID 26051380

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenoxy)methyl]benzohydrazide?
The IUPAC name of 4-[(3-bromophenoxy)methyl]benzohydrazide (CID 63575146) is 4-[(3-bromophenoxy)methyl]benzohydrazide.
What is the SMILES notation for 4-[(3-bromophenoxy)methyl]benzohydrazide?
The canonical SMILES for 4-[(3-bromophenoxy)methyl]benzohydrazide is NNC(=O)c1ccc(COc2cccc(Br)c2)cc1.
What is the InChIKey of 4-[(3-bromophenoxy)methyl]benzohydrazide?
The InChIKey is UJWSXVVPDZOJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c15-12-2-1-3-13(8-12)19-9-10-4-6-11(7-5-10)14(18)17-16/h1-8H,9,16H2,(H,17,18).
What are the key properties of 4-[(3-bromophenoxy)methyl]benzohydrazide?
4-[(3-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 4-[(3-bromophenoxy)methyl]benzohydrazide is sourced from PubChem (CID 63575146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).