N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide

C22H27ClN2O4 — CID 4930734

IUPACN'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C22H27ClN2O4/c1-3-4-5-6-13-28-19-10-7-17(8-11-19)22(27)25-24-21(26)15-29-20-12-9-18(23)14-16(20)2/h7-12,14H,3-6,13,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLIIJZPUBSHZYAC-UHFFFAOYSA-N
MW418.92 g/mol
LogP4.45
Rot. Bonds10

About N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide

N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide (PubChem CID 4930734) has the molecular formula C22H27ClN2O4 and a molecular weight of 418.92 g/mol. Its IUPAC name is N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
PubChem CID4930734
Molecular FormulaC22H27ClN2O4
Molecular Weight418.92 g/mol
Exact Mass418.17
IUPAC NameN'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C22H27ClN2O4/c1-3-4-5-6-13-28-19-10-7-17(8-11-19)22(27)25-24-21(26)15-29-20-12-9-18(23)14-16(20)2/h7-12,14H,3-6,13,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLIIJZPUBSHZYAC-UHFFFAOYSA-N
XLogP4.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 54.45
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'}

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Related Compounds

4-butoxy-N'-[2-(2,4-dichlorophenoxy)acetyl]benzohydrazide
CID 4936335
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propoxybenzohydrazide
CID 4938584
N-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamothioyl]-4-hexoxybenzamide
CID 4934583
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
CID 4935342
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
3-bromo-N'-[2-(4-chlorophenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4959603
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-4-pentoxybenzohydrazide
CID 4935351
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide
CID 4950737
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930820
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-hexoxybenzohydrazide
CID 4930780
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-(2-ethoxyethoxy)benzohydrazide
CID 17112743

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide?
The IUPAC name of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide (CID 4930734) is N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide?
The canonical SMILES for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2C)cc1.
What is the InChIKey of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide?
The InChIKey is LIIJZPUBSHZYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4/c1-3-4-5-6-13-28-19-10-7-17(8-11-19)22(27)25-24-21(26)15-29-20-12-9-18(23)14-16(20)2/h7-12,14H,3-6,13,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide?
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide has a molecular weight of 418.92 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-2-methylphenoxy)acetyl]-4-hexoxybenzohydrazide is sourced from PubChem (CID 4930734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).