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

C23H26Cl2N2O6 — CID 55741701

IUPAC4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H26Cl2N2O6/c1-15(28)16-7-9-20(21(13-16)31-2)33-12-4-6-23(30)27-26-22(29)5-3-11-32-19-10-8-17(24)14-18(19)25/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyICFKWTVDQWOCQR-UHFFFAOYSA-N
MW497.38 g/mol
LogP4.37
Rot. Bonds12

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

4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide (PubChem CID 55741701) has the molecular formula C23H26Cl2N2O6 and a molecular weight of 497.38 g/mol. Its IUPAC name is 4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide.

Molecular Properties

Compound Name4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
PubChem CID55741701
Molecular FormulaC23H26Cl2N2O6
Molecular Weight497.38 g/mol
Exact Mass496.12
IUPAC Name4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
SMILESCOc1cc(C(C)=O)ccc1OCCCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H26Cl2N2O6/c1-15(28)16-7-9-20(21(13-16)31-2)33-12-4-6-23(30)27-26-22(29)5-3-11-32-19-10-8-17(24)14-18(19)25/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyICFKWTVDQWOCQR-UHFFFAOYSA-N
XLogP4.37
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.38
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1-[4-[2-(2,4-dichlorophenoxy)ethoxy]-3-methoxyphenyl]ethanone
CID 112788064
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-methylbenzohydrazide
CID 3270892
N-[2-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]ethyl]-4-chlorobenzamide
CID 55761848
4-(2,4-dichlorophenoxy)-N'-[2-(2-methoxyphenoxy)propanoyl]butanehydrazide
CID 4943400
4-(4-acetyl-2-methoxyphenoxy)-N-(4-amino-3,5-dichlorophenyl)butanamide
CID 55789835
4-(4-acetyl-2-methoxyphenoxy)-N-[2-(2,6-dichlorophenyl)ethyl]butanamide
CID 60566414
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
CID 3267153
N'-[2-(2,4-dichlorophenoxy)acetyl]-3,4-dimethoxybenzohydrazide
CID 1107945
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 4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide?
The IUPAC name of 4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide (CID 55741701) is 4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide.
What is the SMILES notation for 4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide?
The canonical SMILES for 4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide is COc1cc(C(C)=O)ccc1OCCCC(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide?
The InChIKey is ICFKWTVDQWOCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O6/c1-15(28)16-7-9-20(21(13-16)31-2)33-12-4-6-23(30)27-26-22(29)5-3-11-32-19-10-8-17(24)14-18(19)25/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide?
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide has a molecular weight of 497.38 g/mol, XLogP of 4.37, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide is sourced from PubChem (CID 55741701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).