2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide

C15H15BrN2O2 — CID 105351408

IUPAC2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(COc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H15BrN2O2/c16-13-5-7-14(8-6-13)20-10-12-3-1-11(2-4-12)9-15(19)18-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyMNQXXPULDMDVPZ-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.56
Rot. Bonds5

About 2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide

2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide (PubChem CID 105351408) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide
PubChem CID105351408
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(COc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H15BrN2O2/c16-13-5-7-14(8-6-13)20-10-12-3-1-11(2-4-12)9-15(19)18-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyMNQXXPULDMDVPZ-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.56
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

2-[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351576
4-[(4-bromophenyl)methoxy]benzoic acid
CID 8706939
2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]acetohydrazide
CID 105351415
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
2-[4-[(2-bromo-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351399
2-[4-[(2-bromo-4-chlorophenoxy)methyl]phenyl]acetohydrazide
CID 105351436
2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]acetohydrazide
CID 105351478
2-amino-5-[(4-bromophenyl)methoxy]benzoic acid
CID 82824687
3-bromo-4-[(4-bromophenoxy)methyl]benzohydrazide
CID 102774300
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide
CID 17245093
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide (CID 105351408) is 2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(COc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide?
The InChIKey is MNQXXPULDMDVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c16-13-5-7-14(8-6-13)20-10-12-3-1-11(2-4-12)9-15(19)18-17/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide?
2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide has a molecular weight of 335.20 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromophenoxy)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 105351408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).