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

C22H25Cl2N3O6 — CID 101329267

IUPACN-(4-chloro-3,5-diethoxyphenyl)-2-[(2-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide
SMILESCCOc1cc(NC(=O)C(/N=N/c2cc(OC)c(OC)cc2Cl)C(C)=O)cc(OCC)c1Cl
InChIInChI=1S/C22H25Cl2N3O6/c1-6-32-18-8-13(9-19(20(18)24)33-7-2)25-22(29)21(12(3)28)27-26-15-11-17(31-5)16(30-4)10-14(15)23/h8-11,21H,6-7H2,1-5H3,(H,25,29)/b27-26+
InChIKeyGPDIYNZABVTRNY-CYYJNZCTSA-N
MW498.36 g/mol
LogP5.49
Rot. Bonds11

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

N-(4-chloro-3,5-diethoxyphenyl)-2-[(2-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide (PubChem CID 101329267) has the molecular formula C22H25Cl2N3O6 and a molecular weight of 498.36 g/mol. Its IUPAC name is N-(4-chloro-3,5-diethoxyphenyl)-2-[(2-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-(4-chloro-3,5-diethoxyphenyl)-2-[(2-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide
PubChem CID101329267
Molecular FormulaC22H25Cl2N3O6
Molecular Weight498.36 g/mol
Exact Mass497.11
IUPAC NameN-(4-chloro-3,5-diethoxyphenyl)-2-[(2-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide
SMILESCCOc1cc(NC(=O)C(/N=N/c2cc(OC)c(OC)cc2Cl)C(C)=O)cc(OCC)c1Cl
InChIInChI=1S/C22H25Cl2N3O6/c1-6-32-18-8-13(9-19(20(18)24)33-7-2)25-22(29)21(12(3)28)27-26-15-11-17(31-5)16(30-4)10-14(15)23/h8-11,21H,6-7H2,1-5H3,(H,25,29)/b27-26+
InChIKeyGPDIYNZABVTRNY-CYYJNZCTSA-N
XLogP5.49
TPSA107.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.36
LogP ≤ 55.49
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-3,5-diethoxyphenyl)-2-[(2-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-diethoxyphenyl)-2-[(2-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329254
2-[(2-chloro-4,5-diethoxyphenyl)diazenyl]-N-(4-chloro-2,6-dimethoxyphenyl)-3-oxobutanamide
CID 101329426
N-(2-chloro-4,6-diethoxyphenyl)-2-[(2-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329256
N-(4-chloro-2,6-diethoxyphenyl)-2-[(2-chloro-4,5-diethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329586
N-(3-chloro-4,5-diethoxyphenyl)-2-[(4-chloro-2,3-dimethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329341
N-(4-chloro-3,5-dimethoxyphenyl)-2-[(3-chloro-2,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329139
N-(3-chloro-4,5-diethoxyphenyl)-2-[(3-chloro-2,5-diethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329613
N-(2-chloro-3,5-diethoxyphenyl)-2-[(2-chloro-3,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329221
N-(4-chloro-2,6-diethoxyphenyl)-2-[(4-chloro-2,5-diethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329682
N-(2-chloro-4,5-diethoxyphenyl)-2-[(2-chloro-3,5-diethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329543
2-[(2-chloro-3,5-diethoxyphenyl)diazenyl]-N-(3-chloro-2,5-dimethoxyphenyl)-3-oxobutanamide
CID 101329387
N-(2-chloro-3,5-diethoxyphenyl)-2-[(3-chloro-2,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329285

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3,5-diethoxyphenyl)-2-[(2-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide?
The IUPAC name of N-(4-chloro-3,5-diethoxyphenyl)-2-[(2-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide (CID 101329267) is N-(4-chloro-3,5-diethoxyphenyl)-2-[(2-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide.
What is the SMILES notation for N-(4-chloro-3,5-diethoxyphenyl)-2-[(2-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide?
The canonical SMILES for N-(4-chloro-3,5-diethoxyphenyl)-2-[(2-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide is CCOc1cc(NC(=O)C(/N=N/c2cc(OC)c(OC)cc2Cl)C(C)=O)cc(OCC)c1Cl.
What is the InChIKey of N-(4-chloro-3,5-diethoxyphenyl)-2-[(2-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide?
The InChIKey is GPDIYNZABVTRNY-CYYJNZCTSA-N. The full InChI is InChI=1S/C22H25Cl2N3O6/c1-6-32-18-8-13(9-19(20(18)24)33-7-2)25-22(29)21(12(3)28)27-26-15-11-17(31-5)16(30-4)10-14(15)23/h8-11,21H,6-7H2,1-5H3,(H,25,29)/b27-26+.
What are the key properties of N-(4-chloro-3,5-diethoxyphenyl)-2-[(2-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide?
N-(4-chloro-3,5-diethoxyphenyl)-2-[(2-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide has a molecular weight of 498.36 g/mol, XLogP of 5.49, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3,5-diethoxyphenyl)-2-[(2-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide is sourced from PubChem (CID 101329267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).