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

C19H19Cl2N3O4 — CID 101326927

IUPACN-chloro-2-[(3-chloro-4-methylphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide
SMILESCOc1ccc(OC)c(N(Cl)C(=O)C(/N=N/c2ccc(C)c(Cl)c2)C(C)=O)c1
InChIInChI=1S/C19H19Cl2N3O4/c1-11-5-6-13(9-15(11)20)22-23-18(12(2)25)19(26)24(21)16-10-14(27-3)7-8-17(16)28-4/h5-10,18H,1-4H3/b23-22+
InChIKeyZLUWJRQENMHAAU-GHVJWSGMSA-N
MW424.28 g/mol
LogP4.89
Rot. Bonds7

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

N-chloro-2-[(3-chloro-4-methylphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide (PubChem CID 101326927) has the molecular formula C19H19Cl2N3O4 and a molecular weight of 424.28 g/mol. Its IUPAC name is N-chloro-2-[(3-chloro-4-methylphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-chloro-2-[(3-chloro-4-methylphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide
PubChem CID101326927
Molecular FormulaC19H19Cl2N3O4
Molecular Weight424.28 g/mol
Exact Mass423.08
IUPAC NameN-chloro-2-[(3-chloro-4-methylphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide
SMILESCOc1ccc(OC)c(N(Cl)C(=O)C(/N=N/c2ccc(C)c(Cl)c2)C(C)=O)c1
InChIInChI=1S/C19H19Cl2N3O4/c1-11-5-6-13(9-15(11)20)22-23-18(12(2)25)19(26)24(21)16-10-14(27-3)7-8-17(16)28-4/h5-10,18H,1-4H3/b23-22+
InChIKeyZLUWJRQENMHAAU-GHVJWSGMSA-N
XLogP4.89
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.28
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-chloro-2-[(3-chloro-4-methylphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-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-chloro-2-[(2-chloro-3,4-dimethoxyphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide
CID 101328824
N-chloro-2-[(4-chloro-2,5-diethoxyphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide
CID 101328953
N-chloro-2-[(2-chloro-3,5-dimethoxyphenyl)diazenyl]-N-(2,5-diethoxyphenyl)-3-oxobutanamide
CID 101328885
N-chloro-N-(2,3-dimethoxyphenyl)-2-[(3-nitrophenyl)diazenyl]-3-oxobutanamide
CID 101328701
N-chloro-2-[(4-chloro-2,3-diethoxyphenyl)diazenyl]-N-(3,4-dimethoxyphenyl)-3-oxobutanamide
CID 101328972
N-chloro-2-[(3-chloro-2,5-dimethoxyphenyl)diazenyl]-N-(3,4-diethoxyphenyl)-3-oxobutanamide
CID 101328909
N-chloro-2-[(2-chloro-3,5-dimethoxyphenyl)diazenyl]-N-(2,6-diethoxyphenyl)-3-oxobutanamide
CID 101328895
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
N-chloro-2-[(2-chloro-3,4-diethoxyphenyl)diazenyl]-N-(3,5-dimethoxyphenyl)-3-oxobutanamide
CID 101328974
N-chloro-2-[(4-chloro-2,3-dimethoxyphenyl)diazenyl]-N-(2,3-diethoxyphenyl)-3-oxobutanamide
CID 101328872
N-(2-chloro-3,6-dimethoxyphenyl)-2-[(3-chloro-4,5-dimethoxyphenyl)diazenyl]-3-oxobutanamide
CID 101329158
N-(3-chloro-4-methylphenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 126188033

Frequently Asked Questions

What is the IUPAC name of N-chloro-2-[(3-chloro-4-methylphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide?
The IUPAC name of N-chloro-2-[(3-chloro-4-methylphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide (CID 101326927) is N-chloro-2-[(3-chloro-4-methylphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide.
What is the SMILES notation for N-chloro-2-[(3-chloro-4-methylphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide?
The canonical SMILES for N-chloro-2-[(3-chloro-4-methylphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide is COc1ccc(OC)c(N(Cl)C(=O)C(/N=N/c2ccc(C)c(Cl)c2)C(C)=O)c1.
What is the InChIKey of N-chloro-2-[(3-chloro-4-methylphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide?
The InChIKey is ZLUWJRQENMHAAU-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H19Cl2N3O4/c1-11-5-6-13(9-15(11)20)22-23-18(12(2)25)19(26)24(21)16-10-14(27-3)7-8-17(16)28-4/h5-10,18H,1-4H3/b23-22+.
What are the key properties of N-chloro-2-[(3-chloro-4-methylphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide?
N-chloro-2-[(3-chloro-4-methylphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide has a molecular weight of 424.28 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-2-[(3-chloro-4-methylphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-oxobutanamide is sourced from PubChem (CID 101326927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).