N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide

C22H27ClN2O4 — CID 4932335

IUPACN'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C22H27ClN2O4/c1-3-4-5-8-15-28-18-13-11-17(12-14-18)22(27)25-24-21(26)16(2)29-20-10-7-6-9-19(20)23/h6-7,9-14,16H,3-5,8,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyHJQLVBMVMQAQNA-UHFFFAOYSA-N
MW418.92 g/mol
LogP4.53
Rot. Bonds10

About N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide

N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide (PubChem CID 4932335) has the molecular formula C22H27ClN2O4 and a molecular weight of 418.92 g/mol. Its IUPAC name is N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide
PubChem CID4932335
Molecular FormulaC22H27ClN2O4
Molecular Weight418.92 g/mol
Exact Mass418.17
IUPAC NameN'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide
SMILESCCCCCCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C22H27ClN2O4/c1-3-4-5-8-15-28-18-13-11-17(12-14-18)22(27)25-24-21(26)16(2)29-20-10-7-6-9-19(20)23/h6-7,9-14,16H,3-5,8,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyHJQLVBMVMQAQNA-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
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

N'-[2-(4-ethylphenoxy)propanoyl]-4-hexoxybenzohydrazide
CID 4953511
4-hexoxy-N'-(2-methylpropanoyl)benzohydrazide
CID 24677420
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 17150845
N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 4932300
2-(2-chlorophenoxy)-N'-[2-(4-chlorophenoxy)acetyl]propanehydrazide
CID 4932195
N-[(2-chlorophenyl)methyl]-4-heptoxybenzamide
CID 17194170
2-methoxy-N'-(4-octoxybenzoyl)benzohydrazide
CID 139600143
N-[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]-4-(3-methylbutoxy)benzamide
CID 43887800
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4951504
N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide
CID 4935435

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide?
The IUPAC name of N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide (CID 4932335) is N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide.
What is the SMILES notation for N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide?
The canonical SMILES for N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide is CCCCCCOc1ccc(C(=O)NNC(=O)C(C)Oc2ccccc2Cl)cc1.
What is the InChIKey of N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide?
The InChIKey is HJQLVBMVMQAQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4/c1-3-4-5-8-15-28-18-13-11-17(12-14-18)22(27)25-24-21(26)16(2)29-20-10-7-6-9-19(20)23/h6-7,9-14,16H,3-5,8,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide?
N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide has a molecular weight of 418.92 g/mol, XLogP of 4.53, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chlorophenoxy)propanoyl]-4-hexoxybenzohydrazide is sourced from PubChem (CID 4932335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).