4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride

C17H18Cl3N3O3Zn — CID 133108940

IUPAC4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1[N+]#N.Cl[Zn]Cl.[Cl-]
InChIInChI=1S/C17H17N3O3.3ClH.Zn/c1-3-22-15-11-14(20-18)16(23-4-2)10-13(15)19-17(21)12-8-6-5-7-9-12;;;;/h5-11H,3-4H2,1-2H3;3*1H;/q;;;;+2/p-2
InChIKeyOLFLSIOXGZSCDB-UHFFFAOYSA-L
MW484.10 g/mol
LogP2.60
Rot. Bonds6

About 4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride

4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride (PubChem CID 133108940) has the molecular formula C17H18Cl3N3O3Zn and a molecular weight of 484.10 g/mol. Its IUPAC name is 4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride.

Molecular Properties

Compound Name4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride
PubChem CID133108940
Molecular FormulaC17H18Cl3N3O3Zn
Molecular Weight484.10 g/mol
Exact Mass480.97
IUPAC Name4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1[N+]#N.Cl[Zn]Cl.[Cl-]
InChIInChI=1S/C17H17N3O3.3ClH.Zn/c1-3-22-15-11-14(20-18)16(23-4-2)10-13(15)19-17(21)12-8-6-5-7-9-12;;;;/h5-11H,3-4H2,1-2H3;3*1H;/q;;;;+2/p-2
InChIKeyOLFLSIOXGZSCDB-UHFFFAOYSA-L
XLogP2.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.10
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride 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-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
4-benzamido-5-methoxy-2-methylbenzenediazonium
CID 23558418
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
N-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 60594400
N-[2,5-diethoxy-4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 1051988
N-(4-amino-2-chloro-5-ethoxyphenyl)benzamide
CID 23464367
N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265926
N-(4-benzamido-2,5-diethoxyphenyl)-2-chloro-4-fluorobenzamide
CID 2103386
N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 29457055
N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 19221311

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride?
The IUPAC name of 4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride (CID 133108940) is 4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride.
What is the SMILES notation for 4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride?
The canonical SMILES for 4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride is CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1[N+]#N.Cl[Zn]Cl.[Cl-].
What is the InChIKey of 4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride?
The InChIKey is OLFLSIOXGZSCDB-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H17N3O3.3ClH.Zn/c1-3-22-15-11-14(20-18)16(23-4-2)10-13(15)19-17(21)12-8-6-5-7-9-12;;;;/h5-11H,3-4H2,1-2H3;3*1H;/q;;;;+2/p-2.
What are the key properties of 4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride?
4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride has a molecular weight of 484.10 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-2,5-diethoxybenzenediazonium;dichlorozinc;chloride is sourced from PubChem (CID 133108940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).