N-(4-chloro-2,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide

C20H21Cl2N3O6 — CID 101329170

IUPACN-(4-chloro-2,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide
SMILESCOc1cc(Cl)cc(OC)c1NC(=O)C(/N=N/c1cc(Cl)c(OC)c(OC)c1)C(C)=O
InChIInChI=1S/C20H21Cl2N3O6/c1-10(26)17(25-24-12-8-13(22)19(31-5)16(9-12)30-4)20(27)23-18-14(28-2)6-11(21)7-15(18)29-3/h6-9,17H,1-5H3,(H,23,27)/b25-24+
InChIKeyZEOJGGNCPKPTQR-OCOZRVBESA-N
MW470.31 g/mol
LogP4.71
Rot. Bonds9

About N-(4-chloro-2,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide

N-(4-chloro-2,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide (PubChem CID 101329170) has the molecular formula C20H21Cl2N3O6 and a molecular weight of 470.31 g/mol. Its IUPAC name is N-(4-chloro-2,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-(4-chloro-2,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide
PubChem CID101329170
Molecular FormulaC20H21Cl2N3O6
Molecular Weight470.31 g/mol
Exact Mass469.08
IUPAC NameN-(4-chloro-2,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide
SMILESCOc1cc(Cl)cc(OC)c1NC(=O)C(/N=N/c1cc(Cl)c(OC)c(OC)c1)C(C)=O
InChIInChI=1S/C20H21Cl2N3O6/c1-10(26)17(25-24-12-8-13(22)19(31-5)16(9-12)30-4)20(27)23-18-14(28-2)6-11(21)7-15(18)29-3/h6-9,17H,1-5H3,(H,23,27)/b25-24+
InChIKeyZEOJGGNCPKPTQR-OCOZRVBESA-N
XLogP4.71
TPSA107.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.31
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-(4-chloro-2,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-3,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329158
N-(5-chloro-2,3-diethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329327
N-(4-chloro-2,6-dimethoxyphenyl)-2-[(2-chloro-3,6-dimethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329090
N-(4-chloro-2,6-dimethoxyphenyl)-2-[(2-chloro-3,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329074
2-[(2-chloro-4,5-diethoxyphenyl)diazenyl]-N-(4-chloro-2,6-dimethoxyphenyl)-3-oxobutanamide
CID 101329426
N-(3-chloro-4,5-dimethoxyphenyl)-2-[(3-nitrophenyl)diazenyl]-3-oxobutanamide
CID 101328738
N-(5-chloro-2,3-dimethoxyphenyl)-2-[(3-nitrophenyl)diazenyl]-3-oxobutanamide
CID 101328740
N-(2-chloro-4,6-dimethoxyphenyl)-2-[(3-chloro-2,6-dimethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329144
N-(6-chloro-2,3-dimethoxyphenyl)-2-[(4-chloro-2,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329193
N-(3-chloro-2,6-dimethoxyphenyl)-2-[(4-chloro-2,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329196
2-[(4-chloro-2,3-diethoxyphenyl)diazenyl]-N-(5-chloro-2,3-dimethoxyphenyl)-3-oxobutanamide
CID 101329503
N-(4-chloro-2,6-diethoxyphenyl)-2-[(2-chloro-4,5-diethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329586

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide?
The IUPAC name of N-(4-chloro-2,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide (CID 101329170) is N-(4-chloro-2,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide.
What is the SMILES notation for N-(4-chloro-2,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide?
The canonical SMILES for N-(4-chloro-2,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide is COc1cc(Cl)cc(OC)c1NC(=O)C(/N=N/c1cc(Cl)c(OC)c(OC)c1)C(C)=O.
What is the InChIKey of N-(4-chloro-2,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide?
The InChIKey is ZEOJGGNCPKPTQR-OCOZRVBESA-N. The full InChI is InChI=1S/C20H21Cl2N3O6/c1-10(26)17(25-24-12-8-13(22)19(31-5)16(9-12)30-4)20(27)23-18-14(28-2)6-11(21)7-15(18)29-3/h6-9,17H,1-5H3,(H,23,27)/b25-24+.
What are the key properties of N-(4-chloro-2,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide?
N-(4-chloro-2,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide has a molecular weight of 470.31 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide is sourced from PubChem (CID 101329170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).