2-[[2-chloro-4-(3-chloro-4-deuteriophenyl)phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide

C24H21Cl2N3O2 — CID 175782926

IUPAC2-[[2-chloro-4-(3-chloro-4-deuteriophenyl)phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide
SMILES[2H]c1ccc(-c2ccc(/N=N/C(C(C)=O)C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1Cl
InChIInChI=1S/C24H21Cl2N3O2/c1-14-7-9-21(15(2)11-14)27-24(31)23(16(3)30)29-28-22-10-8-18(13-20(22)26)17-5-4-6-19(25)12-17/h4-13,23H,1-3H3,(H,27,31)/b29-28+/i6D
InChIKeyJOOOMSWMHYYOAB-GYZXXTQSSA-N
MW455.36 g/mol
LogP6.96
Rot. Bonds6

About 2-[[2-chloro-4-(3-chloro-4-deuteriophenyl)phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide

2-[[2-chloro-4-(3-chloro-4-deuteriophenyl)phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide (PubChem CID 175782926) has the molecular formula C24H21Cl2N3O2 and a molecular weight of 455.36 g/mol. Its IUPAC name is 2-[[2-chloro-4-(3-chloro-4-deuteriophenyl)phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide.

Molecular Properties

Compound Name2-[[2-chloro-4-(3-chloro-4-deuteriophenyl)phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide
PubChem CID175782926
Molecular FormulaC24H21Cl2N3O2
Molecular Weight455.36 g/mol
Exact Mass454.11
IUPAC Name2-[[2-chloro-4-(3-chloro-4-deuteriophenyl)phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide
SMILES[2H]c1ccc(-c2ccc(/N=N/C(C(C)=O)C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1Cl
InChIInChI=1S/C24H21Cl2N3O2/c1-14-7-9-21(15(2)11-14)27-24(31)23(16(3)30)29-28-22-10-8-18(13-20(22)26)17-5-4-6-19(25)12-17/h4-13,23H,1-3H3,(H,27,31)/b29-28+/i6D
InChIKeyJOOOMSWMHYYOAB-GYZXXTQSSA-N
XLogP6.96
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.36
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[[2-chloro-4-(3-chloro-4-deuteriophenyl)phenyl]diazenyl]-N-(2,4-dimethylphenyl)-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

(2S)-2-[[2-chloro-4-[3-chloro-4-[[(2S)-1-(2-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide
CID 99649677
(2S)-2-[[2-chloro-4-[3-chloro-4-[[(2R)-1-(2,4-dimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-3-oxo-N-phenylbutanamide
CID 124673872
(2R)-2-[[2-chloro-4-[3-chloro-4-[[(2R)-1-(4-chloro-2,5-dimethoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide
CID 99650348
(2R)-2-[[2-chloro-4-[3-chloro-4-[[(2R)-1-(4-methylanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]phenyl]diazenyl]-N-(4-methylphenyl)-3-oxobutanamide
CID 124596244
2-[[4-[4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-chlorophenyl]-2-chlorophenyl]diazenyl]-3-oxo-N-phenylbutanamide;ethane
CID 123842474
2-[[4-[4-[[1-(N-amino-2,4,5-trimethylanilino)-1,3-dioxobutan-2-yl]diazenyl]-3-chlorophenyl]-2-chlorophenyl]diazenyl]-3-oxo-N-(2,4,5-trimethylphenyl)butanamide
CID 20642843
N-(2-chloro-3,6-dimethoxyphenyl)-2-[(2-chloro-4-methylphenyl)diazenyl]-3-oxobutanamide
CID 101326980
N-(5-chloro-2-methylphenyl)-2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxobutanamide
CID 71435005
5-[[2-[[4-[4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-3-chlorophenyl]-2-chlorophenyl]diazenyl]-3-oxobutanoyl]amino]-2-hydroxybenzoic acid
CID 170842151
4-chloro-N-(2-chloro-5-methylphenyl)-3-[[1-[2,5-dichloro-4-[[2-[[2-chloro-5-[(2-chloro-5-methylphenyl)carbamoyl]phenyl]diazenyl]-3-oxobutanoyl]amino]anilino]-1,3-dioxobutan-2-yl]diazenyl]benzamide
CID 170849589
N-(3-chloro-2,5-dimethoxyphenyl)-2-[(4-chloro-2-methylphenyl)diazenyl]-3-oxobutanamide
CID 101327095
N-(5-chloro-2-methylphenyl)-2-[(4-chloro-2-nitrophenyl)diazenyl]-3-oxobutanamide
CID 57349604

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-4-(3-chloro-4-deuteriophenyl)phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide?
The IUPAC name of 2-[[2-chloro-4-(3-chloro-4-deuteriophenyl)phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide (CID 175782926) is 2-[[2-chloro-4-(3-chloro-4-deuteriophenyl)phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide.
What is the SMILES notation for 2-[[2-chloro-4-(3-chloro-4-deuteriophenyl)phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide?
The canonical SMILES for 2-[[2-chloro-4-(3-chloro-4-deuteriophenyl)phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide is [2H]c1ccc(-c2ccc(/N=N/C(C(C)=O)C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1Cl.
What is the InChIKey of 2-[[2-chloro-4-(3-chloro-4-deuteriophenyl)phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide?
The InChIKey is JOOOMSWMHYYOAB-GYZXXTQSSA-N. The full InChI is InChI=1S/C24H21Cl2N3O2/c1-14-7-9-21(15(2)11-14)27-24(31)23(16(3)30)29-28-22-10-8-18(13-20(22)26)17-5-4-6-19(25)12-17/h4-13,23H,1-3H3,(H,27,31)/b29-28+/i6D.
What are the key properties of 2-[[2-chloro-4-(3-chloro-4-deuteriophenyl)phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide?
2-[[2-chloro-4-(3-chloro-4-deuteriophenyl)phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide has a molecular weight of 455.36 g/mol, XLogP of 6.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-4-(3-chloro-4-deuteriophenyl)phenyl]diazenyl]-N-(2,4-dimethylphenyl)-3-oxobutanamide is sourced from PubChem (CID 175782926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).