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

C16H14Br2N2O3 — CID 54790769

IUPAC3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide
SMILESCc1cc(Br)ccc1OCC(=O)NNC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H14Br2N2O3/c1-10-7-13(18)5-6-14(10)23-9-15(21)19-20-16(22)11-3-2-4-12(17)8-11/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyZOOSHWNQRRIBHF-UHFFFAOYSA-N
MW442.11 g/mol
LogP3.36
Rot. Bonds4

About 3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide

3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide (PubChem CID 54790769) has the molecular formula C16H14Br2N2O3 and a molecular weight of 442.11 g/mol. Its IUPAC name is 3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide
PubChem CID54790769
Molecular FormulaC16H14Br2N2O3
Molecular Weight442.11 g/mol
Exact Mass439.94
IUPAC Name3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide
SMILESCc1cc(Br)ccc1OCC(=O)NNC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H14Br2N2O3/c1-10-7-13(18)5-6-14(10)23-9-15(21)19-20-16(22)11-3-2-4-12(17)8-11/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyZOOSHWNQRRIBHF-UHFFFAOYSA-N
XLogP3.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.11
LogP ≤ 53.36
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

3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 7719967
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140458
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-tert-butylbenzohydrazide
CID 1047378
2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone
CID 55221609
N-(3-acetylphenyl)-2-(4-bromo-2-methylphenoxy)acetamide
CID 1013855
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 4930160
methyl 3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]benzoate
CID 17175383
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
N-benzyl-3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]benzamide
CID 28638819
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-3-ethoxybenzohydrazide
CID 4957534
N'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide
CID 3412402
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 54790918

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide (CID 54790769) is 3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide is Cc1cc(Br)ccc1OCC(=O)NNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide?
The InChIKey is ZOOSHWNQRRIBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O3/c1-10-7-13(18)5-6-14(10)23-9-15(21)19-20-16(22)11-3-2-4-12(17)8-11/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide?
3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide has a molecular weight of 442.11 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-[2-(4-bromo-2-methylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 54790769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).