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

C21H24BrClN2O4 — CID 4959603

IUPAC3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C21H24BrClN2O4/c1-2-3-4-5-12-28-19-11-6-15(13-18(19)22)21(27)25-24-20(26)14-29-17-9-7-16(23)8-10-17/h6-11,13H,2-5,12,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyIDXFTGABVTVRGV-UHFFFAOYSA-N
MW483.79 g/mol
LogP4.90
Rot. Bonds10

About 3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide

3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide (PubChem CID 4959603) has the molecular formula C21H24BrClN2O4 and a molecular weight of 483.79 g/mol. Its IUPAC name is 3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide
PubChem CID4959603
Molecular FormulaC21H24BrClN2O4
Molecular Weight483.79 g/mol
Exact Mass482.06
IUPAC Name3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C21H24BrClN2O4/c1-2-3-4-5-12-28-19-11-6-15(13-18(19)22)21(27)25-24-20(26)14-29-17-9-7-16(23)8-10-17/h6-11,13H,2-5,12,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyIDXFTGABVTVRGV-UHFFFAOYSA-N
XLogP4.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.79
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide 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

3-bromo-N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 4959624
3-bromo-N'-(2-ethoxyacetyl)-4-hexoxybenzohydrazide
CID 17140929
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide
CID 4935351
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930734
3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4959610
3-bromo-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-4-hexoxybenzamide
CID 4959970
4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
CID 4936335
3-bromo-N-(4-heptoxyphenyl)-4-hexoxybenzamide
CID 4959571
3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide
CID 4955884
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
CID 4935342
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930780
3-bromo-N-(2,4-dichlorophenyl)-4-hexoxybenzamide
CID 4959418

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide?
The IUPAC name of 3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide (CID 4959603) is 3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide.
What is the SMILES notation for 3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide?
The canonical SMILES for 3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1Br.
What is the InChIKey of 3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide?
The InChIKey is IDXFTGABVTVRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrClN2O4/c1-2-3-4-5-12-28-19-11-6-15(13-18(19)22)21(27)25-24-20(26)14-29-17-9-7-16(23)8-10-17/h6-11,13H,2-5,12,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide?
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide has a molecular weight of 483.79 g/mol, XLogP of 4.90, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide is sourced from PubChem (CID 4959603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).