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

C20H22Cl2N2O5 — CID 4943400

IUPAC4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide
SMILESCOc1ccccc1OC(C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O5/c1-13(29-18-7-4-3-6-17(18)27-2)20(26)24-23-19(25)8-5-11-28-16-10-9-14(21)12-15(16)22/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZFYQFGUOFSOXDN-UHFFFAOYSA-N
MW441.31 g/mol
LogP3.78
Rot. Bonds9

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

4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide (PubChem CID 4943400) has the molecular formula C20H22Cl2N2O5 and a molecular weight of 441.31 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide
PubChem CID4943400
Molecular FormulaC20H22Cl2N2O5
Molecular Weight441.31 g/mol
Exact Mass440.09
IUPAC Name4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide
SMILESCOc1ccccc1OC(C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O5/c1-13(29-18-7-4-3-6-17(18)27-2)20(26)24-23-19(25)8-5-11-28-16-10-9-14(21)12-15(16)22/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZFYQFGUOFSOXDN-UHFFFAOYSA-N
XLogP3.78
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.31
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,5-dimethylphenoxy)propanoyl]butanehydrazide
CID 4945005
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
N'-[2-(2-methoxyphenoxy)propanoyl]hexanehydrazide
CID 4955589
2-(2,4-dichlorophenoxy)-N'-[2-(2,4-dichlorophenoxy)acetyl]propanehydrazide
CID 3120230
N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide
CID 17355597
N'-[(2R)-2-(2,4-dichlorophenoxy)propanoyl]-3-methylbutanehydrazide
CID 41387582
(2S)-2-(2,4-dichlorophenoxy)-N'-(2-methoxyacetyl)propanehydrazide
CID 7046351
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(2-methoxyphenoxy)propanamide
CID 9172784
N-(2-chlorophenyl)-4-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 5120294
N'-[4-(2,4-dichlorophenoxy)butanoyl]phenothiazine-10-carbohydrazide
CID 4928309

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide (CID 4943400) is 4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide is COc1ccccc1OC(C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide?
The InChIKey is ZFYQFGUOFSOXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O5/c1-13(29-18-7-4-3-6-17(18)27-2)20(26)24-23-19(25)8-5-11-28-16-10-9-14(21)12-15(16)22/h3-4,6-7,9-10,12-13H,5,8,11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide?
4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide has a molecular weight of 441.31 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide is sourced from PubChem (CID 4943400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).