4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide

C21H24Cl2N2O4 — CID 4945005

IUPAC4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide
SMILESCc1ccc(C)c(OC(C)C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H24Cl2N2O4/c1-13-6-7-14(2)19(11-13)29-15(3)21(27)25-24-20(26)5-4-10-28-18-9-8-16(22)12-17(18)23/h6-9,11-12,15H,4-5,10H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyYQWSTUQHHRQMAH-UHFFFAOYSA-N
MW439.34 g/mol
LogP4.38
Rot. Bonds8

About 4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide

4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide (PubChem CID 4945005) has the molecular formula C21H24Cl2N2O4 and a molecular weight of 439.34 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide
PubChem CID4945005
Molecular FormulaC21H24Cl2N2O4
Molecular Weight439.34 g/mol
Exact Mass438.11
IUPAC Name4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide
SMILESCc1ccc(C)c(OC(C)C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C21H24Cl2N2O4/c1-13-6-7-14(2)19(11-13)29-15(3)21(27)25-24-20(26)5-4-10-28-18-9-8-16(22)12-17(18)23/h6-9,11-12,15H,4-5,10H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyYQWSTUQHHRQMAH-UHFFFAOYSA-N
XLogP4.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 54.38
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-(2,4-dichlorophenoxy)-N'-[2-(2,6-dimethylphenoxy)propanoyl]butanehydrazide
CID 4958695
4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide
CID 4943400
N'-[2-(2,4-dichlorophenoxy)propanoyl]-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanehydrazide
CID 54784120
N'-[2-(2-chlorophenoxy)acetyl]-2-(2,5-dimethylphenoxy)propanehydrazide
CID 4945053
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
CID 3270892
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 7728372
tert-butyl N-[1-[2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazinyl]-1-oxopropan-2-yl]carbamate
CID 55560475
N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide
CID 19176295
4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 4945001
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(3-methylphenoxy)propanehydrazide
CID 5162800

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide (CID 4945005) is 4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide is Cc1ccc(C)c(OC(C)C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide?
The InChIKey is YQWSTUQHHRQMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O4/c1-13-6-7-14(2)19(11-13)29-15(3)21(27)25-24-20(26)5-4-10-28-18-9-8-16(22)12-17(18)23/h6-9,11-12,15H,4-5,10H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide?
4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide has a molecular weight of 439.34 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide is sourced from PubChem (CID 4945005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).