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

C14H12BrFN2O2 — CID 102774327

IUPAC3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(COc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C14H12BrFN2O2/c15-13-6-9(14(19)18-17)4-5-10(13)8-20-12-3-1-2-11(16)7-12/h1-7H,8,17H2,(H,18,19)
InChIKeyJYIJLHSHQZKWAK-UHFFFAOYSA-N
MW339.16 g/mol
LogP2.77
Rot. Bonds4

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

3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide (PubChem CID 102774327) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide
PubChem CID102774327
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide
SMILESNNC(=O)c1ccc(COc2cccc(F)c2)c(Br)c1
InChIInChI=1S/C14H12BrFN2O2/c15-13-6-9(14(19)18-17)4-5-10(13)8-20-12-3-1-2-11(16)7-12/h1-7H,8,17H2,(H,18,19)
InChIKeyJYIJLHSHQZKWAK-UHFFFAOYSA-N
XLogP2.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 52.77
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-(phenoxymethyl)benzohydrazide
CID 102774318
3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide
CID 102774300
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868
2-[2-[(3-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 115465202
3-[(3-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 63577037
3-bromo-4-[(3,5-difluorophenoxy)methyl]benzoic acid
CID 102765519
3-amino-4-[(3-fluorophenoxy)methyl]benzamide
CID 43376530
4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114486229
4-fluoro-3-[(3-formylphenoxy)methyl]benzohydrazide
CID 107458163
3-bromo-4-[(3-bromophenyl)methoxymethyl]benzohydrazide
CID 102774451
3-bromo-4-[(2-bromo-4-methylphenoxy)methyl]benzohydrazide
CID 102774379
3-bromo-4-[(2-methyl-3-pyridinyl)oxymethyl]benzohydrazide
CID 102774440

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide?
The IUPAC name of 3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide (CID 102774327) is 3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide.
What is the SMILES notation for 3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide?
The canonical SMILES for 3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide is NNC(=O)c1ccc(COc2cccc(F)c2)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide?
The InChIKey is JYIJLHSHQZKWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c15-13-6-9(14(19)18-17)4-5-10(13)8-20-12-3-1-2-11(16)7-12/h1-7H,8,17H2,(H,18,19).
What are the key properties of 3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide?
3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide has a molecular weight of 339.16 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(3-fluorophenoxy)methyl]benzohydrazide is sourced from PubChem (CID 102774327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).