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

C15H12BrClN2O3 — CID 4811581

IUPAC4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClN2O3/c16-11-3-1-10(2-4-11)15(21)19-18-14(20)9-22-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyVGQQGYGWCQNBEQ-UHFFFAOYSA-N
MW383.63 g/mol
LogP2.94
Rot. Bonds4

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

4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide (PubChem CID 4811581) has the molecular formula C15H12BrClN2O3 and a molecular weight of 383.63 g/mol. Its IUPAC name is 4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
PubChem CID4811581
Molecular FormulaC15H12BrClN2O3
Molecular Weight383.63 g/mol
Exact Mass381.97
IUPAC Name4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
SMILESO=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H12BrClN2O3/c16-11-3-1-10(2-4-11)15(21)19-18-14(20)9-22-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyVGQQGYGWCQNBEQ-UHFFFAOYSA-N
XLogP2.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.63
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide
CID 78876899
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 54790918
ethyl 4-[2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 54790917
4-bromo-N'-[2-(2-bromo-4-chlorophenoxy)acetyl]benzohydrazide
CID 54790834
[(4-chlorobenzoyl)amino] 2-(4-bromophenoxy)acetate
CID 30075448
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
CID 2710688
3-bromo-N'-[2-(4-bromophenoxy)acetyl]-5-fluorobenzohydrazide
CID 78877450
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 26850877
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide (CID 4811581) is 4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide is O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide?
The InChIKey is VGQQGYGWCQNBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O3/c16-11-3-1-10(2-4-11)15(21)19-18-14(20)9-22-13-7-5-12(17)6-8-13/h1-8H,9H2,(H,18,20)(H,19,21).
What are the key properties of 4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide?
4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide has a molecular weight of 383.63 g/mol, XLogP of 2.94, 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-(4-chlorophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 4811581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).