2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide

C16H17BrN2O2 — CID 115465253

IUPAC2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide
SMILESCc1cc(Br)ccc1OCc1ccccc1CC(=O)NN
InChIInChI=1S/C16H17BrN2O2/c1-11-8-14(17)6-7-15(11)21-10-13-5-3-2-4-12(13)9-16(20)19-18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyZIXJPMZZQQVRPX-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.87
Rot. Bonds5

About 2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide

2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide (PubChem CID 115465253) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide
PubChem CID115465253
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide
SMILESCc1cc(Br)ccc1OCc1ccccc1CC(=O)NN
InChIInChI=1S/C16H17BrN2O2/c1-11-8-14(17)6-7-15(11)21-10-13-5-3-2-4-12(13)9-16(20)19-18/h2-8H,9-10,18H2,1H3,(H,19,20)
InChIKeyZIXJPMZZQQVRPX-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.87
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

N-[[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 63496855
2-[2-[(2-chloro-4-methylphenoxy)methyl]phenyl]acetohydrazide
CID 115465245
2-(4-bromo-2-methylphenyl)acetohydrazide
CID 166828738
2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide
CID 115465209
2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide
CID 115465259
4-[(4-bromo-2-methylphenoxy)methyl]-3-methylbenzoic acid
CID 114485775
N-methyl-2-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]acetamide
CID 129039360
2-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 63576319
1-amino-3-[2-[(4-bromo-2-methylphenoxy)methyl]-3-chlorophenyl]urea
CID 144785007
5-bromo-2-[(4-bromo-2-methylphenoxy)methyl]aniline
CID 114380845
2-(4-bromo-2-methylphenoxy)acetamide
CID 803456
2-(4-bromo-2-methylphenoxy)-2-phenylacetohydrazide
CID 63570205

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide (CID 115465253) is 2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide is Cc1cc(Br)ccc1OCc1ccccc1CC(=O)NN.
What is the InChIKey of 2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide?
The InChIKey is ZIXJPMZZQQVRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-8-14(17)6-7-15(11)21-10-13-5-3-2-4-12(13)9-16(20)19-18/h2-8H,9-10,18H2,1H3,(H,19,20).
What are the key properties of 2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide?
2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide has a molecular weight of 349.23 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-bromo-2-methylphenoxy)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).