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

C15H11Br2ClN2O3 — CID 54790834

IUPAC4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11Br2ClN2O3/c16-10-3-1-9(2-4-10)15(22)20-19-14(21)8-23-13-6-5-11(18)7-12(13)17/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyVFGQYPZMSLEBSL-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.70
Rot. Bonds4

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

4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide (PubChem CID 54790834) has the molecular formula C15H11Br2ClN2O3 and a molecular weight of 462.53 g/mol. Its IUPAC name is 4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
PubChem CID54790834
Molecular FormulaC15H11Br2ClN2O3
Molecular Weight462.53 g/mol
Exact Mass459.88
IUPAC Name4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H11Br2ClN2O3/c16-10-3-1-9(2-4-10)15(22)20-19-14(21)8-23-13-6-5-11(18)7-12(13)17/h1-7H,8H2,(H,19,21)(H,20,22)
InChIKeyVFGQYPZMSLEBSL-UHFFFAOYSA-N
XLogP3.70
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.70
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

N-[4-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]propanamide
CID 5229018
N-[4-[[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-4-tert-butylbenzamide
CID 5120298
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 5245314
4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
2-(2-bromo-4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 5229550
3-bromo-N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 17355468
2-(4-bromo-2-tert-butylphenoxy)-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]acetohydrazide
CID 17051867
5-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]furan-2-carbohydrazide
CID 4926231
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
methyl 4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]benzoate
CID 17178356
4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 8807740
N'-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3,5-dichlorobenzohydrazide
CID 17133652

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide (CID 54790834) is 4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide is O=C(COc1ccc(Cl)cc1Br)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide?
The InChIKey is VFGQYPZMSLEBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2ClN2O3/c16-10-3-1-9(2-4-10)15(22)20-19-14(21)8-23-13-6-5-11(18)7-12(13)17/h1-7H,8H2,(H,19,21)(H,20,22).
What are the key properties of 4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide?
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide has a molecular weight of 462.53 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 54790834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).