N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide

C20H23ClN2O5 — CID 4943310

IUPACN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide
SMILESCOc1ccccc1OC(C)C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C20H23ClN2O5/c1-12-9-15(10-13(2)19(12)21)27-11-18(24)22-23-20(25)14(3)28-17-8-6-5-7-16(17)26-4/h5-10,14H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyLECKBDLATVMTEH-UHFFFAOYSA-N
MW406.87 g/mol
LogP2.96
Rot. Bonds7

About N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide

N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide (PubChem CID 4943310) has the molecular formula C20H23ClN2O5 and a molecular weight of 406.87 g/mol. Its IUPAC name is N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide
PubChem CID4943310
Molecular FormulaC20H23ClN2O5
Molecular Weight406.87 g/mol
Exact Mass406.13
IUPAC NameN'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide
SMILESCOc1ccccc1OC(C)C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C20H23ClN2O5/c1-12-9-15(10-13(2)19(12)21)27-11-18(24)22-23-20(25)14(3)28-17-8-6-5-7-16(17)26-4/h5-10,14H,11H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyLECKBDLATVMTEH-UHFFFAOYSA-N
XLogP2.96
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 108541249
2-(2-methoxyphenoxy)-N'-[2-(4-phenylphenoxy)acetyl]propanehydrazide
CID 4943458
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(4-ethylphenoxy)propanehydrazide
CID 4953417
2-(2-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]propanehydrazide
CID 4932286
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyphenyl)acetamide
CID 776798
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386
2-(2-butan-2-ylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]propanehydrazide
CID 17130025
N'-[2-(2-chlorophenoxy)acetyl]-2-(2,5-dimethylphenoxy)propanehydrazide
CID 4945053
(2R)-N'-[2-(2-methoxyphenoxy)acetyl]-2-(2-nitrophenoxy)propanehydrazide
CID 9206073
N'-[2-(2-tert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
CID 17169459
2-(2-chlorophenoxy)-N'-[2-(4-chlorophenoxy)acetyl]propanehydrazide
CID 4932195
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-nitrophenoxy)acetohydrazide
CID 4931158

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide?
The IUPAC name of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide (CID 4943310) is N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide.
What is the SMILES notation for N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide?
The canonical SMILES for N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide is COc1ccccc1OC(C)C(=O)NNC(=O)COc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide?
The InChIKey is LECKBDLATVMTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5/c1-12-9-15(10-13(2)19(12)21)27-11-18(24)22-23-20(25)14(3)28-17-8-6-5-7-16(17)26-4/h5-10,14H,11H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide?
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide has a molecular weight of 406.87 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide is sourced from PubChem (CID 4943310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).