N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-phenylacetohydrazide

C17H17BrN2O3 — CID 1047994

IUPACN'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-phenylacetohydrazide
SMILESCc1cc(Br)ccc1OCC(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C17H17BrN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(22)20-19-16(21)10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyXCNJSHKVIYBEQC-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.53
Rot. Bonds5

About N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-phenylacetohydrazide

N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-phenylacetohydrazide (PubChem CID 1047994) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-phenylacetohydrazide
PubChem CID1047994
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-phenylacetohydrazide
SMILESCc1cc(Br)ccc1OCC(=O)NNC(=O)Cc1ccccc1
InChIInChI=1S/C17H17BrN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(22)20-19-16(21)10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyXCNJSHKVIYBEQC-UHFFFAOYSA-N
XLogP2.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-Benzoylhydrazinyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 2121868
N'-(2-phenoxyacetyl)-3-phenylpropanehydrazide
CID 3139321
N'-[(2-methylphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139322
N'-[2-(4-bromophenoxy)acetyl]-3-cyclopentylpropanehydrazide
CID 2079636
N-[2-(4-bromophenoxy)acetylamino]-3-phenylpropanamide
CID 3139325
2-(4-bromophenyl)-N'-[2-(3-fluorophenoxy)acetyl]acetohydrazide
CID 2124711
N-[2-(2-bromo-4-methylphenoxy)acetylamino]-3-phenylpropanamide
CID 3139327
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139334
N'-[2-(3-methylphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139323
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139326
2-(4-bromo-2-methylphenoxy)-N'-[(3,4-dimethoxyphenyl)acetyl]acetohydrazide
CID 1210378
N'-[2-(4-methylphenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139324

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-phenylacetohydrazide?
The IUPAC name of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-phenylacetohydrazide (CID 1047994) is N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-phenylacetohydrazide is Cc1cc(Br)ccc1OCC(=O)NNC(=O)Cc1ccccc1.
What is the InChIKey of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-phenylacetohydrazide?
The InChIKey is XCNJSHKVIYBEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-12-9-14(18)7-8-15(12)23-11-17(22)20-19-16(21)10-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-phenylacetohydrazide?
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-phenylacetohydrazide has a molecular weight of 377.24 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromo-2-methylphenoxy)acetyl]-2-phenylacetohydrazide is sourced from PubChem (CID 1047994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).