2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide

C30H20Cl4N12O2 — CID 102443024

IUPAC2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide
SMILESO=C(Cn1nnnc1-c1c(Cl)cccc1Cl)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)Cn2nnnc2-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C30H20Cl4N12O2/c31-19-8-4-9-20(32)27(19)29-39-41-43-45(29)15-25(47)35-18-12-13-23(38-37-17-6-2-1-3-7-17)24(14-18)36-26(48)16-46-30(40-42-44-46)28-21(33)10-5-11-22(28)34/h1-14H,15-16H2,(H,35,47)(H,36,48)/b38-37+
InChIKeyJEFXSHKLYZWPJZ-HEFFKOSUSA-N
MW722.38 g/mol
LogP7.30
Rot. Bonds10

About 2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide

2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide (PubChem CID 102443024) has the molecular formula C30H20Cl4N12O2 and a molecular weight of 722.38 g/mol. Its IUPAC name is 2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide.

Molecular Properties

Compound Name2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide
PubChem CID102443024
Molecular FormulaC30H20Cl4N12O2
Molecular Weight722.38 g/mol
Exact Mass720.06
IUPAC Name2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide
SMILESO=C(Cn1nnnc1-c1c(Cl)cccc1Cl)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)Cn2nnnc2-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C30H20Cl4N12O2/c31-19-8-4-9-20(32)27(19)29-39-41-43-45(29)15-25(47)35-18-12-13-23(38-37-17-6-2-1-3-7-17)24(14-18)36-26(48)16-46-30(40-42-44-46)28-21(33)10-5-11-22(28)34/h1-14H,15-16H2,(H,35,47)(H,36,48)/b38-37+
InChIKeyJEFXSHKLYZWPJZ-HEFFKOSUSA-N
XLogP7.30
TPSA170.12 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500722.38
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide 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-(3-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-1-yl]acetamide
CID 9421628
N-[3-(octanoylamino)-4-phenyldiazenylphenyl]octanamide
CID 5050785
N-[3-(decanoylamino)-4-phenyldiazenylphenyl]decanamide
CID 3615638
2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide
CID 58778266
2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid
CID 175080634
2-[5-(4-chlorophenyl)tetrazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 9421568
N-(2-methoxyphenyl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419704
N-(5-methyl-2-phenyldiazenylphenyl)acetamide
CID 154602849
N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide
CID 1083726
N-(3,4-dichlorophenyl)-2-(5-methylpyrazol-1-yl)acetamide
CID 19522722
dimethyl 2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 9419629
2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 23607728

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide?
The IUPAC name of 2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide (CID 102443024) is 2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide.
What is the SMILES notation for 2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide?
The canonical SMILES for 2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide is O=C(Cn1nnnc1-c1c(Cl)cccc1Cl)Nc1ccc(/N=N/c2ccccc2)c(NC(=O)Cn2nnnc2-c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide?
The InChIKey is JEFXSHKLYZWPJZ-HEFFKOSUSA-N. The full InChI is InChI=1S/C30H20Cl4N12O2/c31-19-8-4-9-20(32)27(19)29-39-41-43-45(29)15-25(47)35-18-12-13-23(38-37-17-6-2-1-3-7-17)24(14-18)36-26(48)16-46-30(40-42-44-46)28-21(33)10-5-11-22(28)34/h1-14H,15-16H2,(H,35,47)(H,36,48)/b38-37+.
What are the key properties of 2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide?
2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide has a molecular weight of 722.38 g/mol, XLogP of 7.30, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]-N-[3-[[2-[5-(2,6-dichlorophenyl)tetrazol-1-yl]acetyl]amino]-4-phenyldiazenylphenyl]acetamide is sourced from PubChem (CID 102443024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).