N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide

C20H22Cl2N2O5 — CID 17355597

IUPACN'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide
SMILESCOCCOc1ccccc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O5/c1-27-11-12-29-17-6-3-2-5-15(17)20(26)24-23-19(25)7-4-10-28-18-9-8-14(21)13-16(18)22/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyXXNXBIQDGRITAH-UHFFFAOYSA-N
MW441.31 g/mol
LogP3.64
Rot. Bonds10

About N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide

N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide (PubChem CID 17355597) has the molecular formula C20H22Cl2N2O5 and a molecular weight of 441.31 g/mol. Its IUPAC name is N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide
PubChem CID17355597
Molecular FormulaC20H22Cl2N2O5
Molecular Weight441.31 g/mol
Exact Mass440.09
IUPAC NameN'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide
SMILESCOCCOc1ccccc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O5/c1-27-11-12-29-17-6-3-2-5-15(17)20(26)24-23-19(25)7-4-10-28-18-9-8-14(21)13-16(18)22/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,23,25)(H,24,26)
InChIKeyXXNXBIQDGRITAH-UHFFFAOYSA-N
XLogP3.64
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.31
LogP ≤ 53.64
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

2-butoxy-N-[[4-(2,4-dichlorophenoxy)butanoylamino]carbamothioyl]benzamide
CID 4941766
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
CID 3267153
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
CID 3270892
4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide
CID 4943400
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide
CID 24538204
N-tert-butyl-2-[4-(2,4-dichlorophenoxy)butanoylamino]benzamide
CID 4530961
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide
CID 60551379
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 5229244
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-pentoxybenzohydrazide
CID 4935342

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide?
The IUPAC name of N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide (CID 17355597) is N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide.
What is the SMILES notation for N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide?
The canonical SMILES for N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide is COCCOc1ccccc1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide?
The InChIKey is XXNXBIQDGRITAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O5/c1-27-11-12-29-17-6-3-2-5-15(17)20(26)24-23-19(25)7-4-10-28-18-9-8-14(21)13-16(18)22/h2-3,5-6,8-9,13H,4,7,10-12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide?
N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide has a molecular weight of 441.31 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(2-methoxyethoxy)benzohydrazide is sourced from PubChem (CID 17355597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).