2-carbamoyl-5-methoxybenzenediazonium chloride

C8H8ClN3O2 — CID 18991222

IUPAC2-carbamoyl-5-methoxybenzenediazonium chloride
SMILESCOc1ccc(C(N)=O)c([N+]#N)c1.[Cl-]
InChIInChI=1S/C8H7N3O2.ClH/c1-13-5-2-3-6(8(9)12)7(4-5)11-10;/h2-4H,1H3,(H-,9,12);1H
InChIKeyLPTBOYZVJIBCPQ-UHFFFAOYSA-N
MW213.62 g/mol
LogP-1.72
Rot. Bonds2

About 2-carbamoyl-5-methoxybenzenediazonium chloride

2-carbamoyl-5-methoxybenzenediazonium chloride (PubChem CID 18991222) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 2-carbamoyl-5-methoxybenzenediazonium chloride.

Molecular Properties

Compound Name2-carbamoyl-5-methoxybenzenediazonium chloride
PubChem CID18991222
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name2-carbamoyl-5-methoxybenzenediazonium chloride
SMILESCOc1ccc(C(N)=O)c([N+]#N)c1.[Cl-]
InChIInChI=1S/C8H7N3O2.ClH/c1-13-5-2-3-6(8(9)12)7(4-5)11-10;/h2-4H,1H3,(H-,9,12);1H
InChIKeyLPTBOYZVJIBCPQ-UHFFFAOYSA-N
XLogP-1.72
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 5-1.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-(methylamino)benzamide
CID 66991664
2-amino-5-methoxybenzamide;ethane
CID 142071126
2-carboxy-4,5-dimethoxybenzenediazonium chloride
CID 13163159
2-chloro-4-(4-methoxyphenyl)benzamide
CID 23360610
5-methoxy-2-(piperidine-1-carbonyl)benzamide
CID 68835817
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
2-methoxy-4-(2-oxopropoxy)benzamide
CID 91220438
5-methoxy-2-(3-oxoprop-1-enyl)benzamide
CID 169459619
2-(2-formyl-4-methoxyphenyl)-5-methoxybenzamide
CID 174287412
2-(2,4-dimethoxyphenyl)prop-2-enamide
CID 174817497
methyl 2-amino-5-methoxybenzoate
CID 13052275
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-5-methoxybenzenediazonium chloride?
The IUPAC name of 2-carbamoyl-5-methoxybenzenediazonium chloride (CID 18991222) is 2-carbamoyl-5-methoxybenzenediazonium chloride.
What is the SMILES notation for 2-carbamoyl-5-methoxybenzenediazonium chloride?
The canonical SMILES for 2-carbamoyl-5-methoxybenzenediazonium chloride is COc1ccc(C(N)=O)c([N+]#N)c1.[Cl-].
What is the InChIKey of 2-carbamoyl-5-methoxybenzenediazonium chloride?
The InChIKey is LPTBOYZVJIBCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2.ClH/c1-13-5-2-3-6(8(9)12)7(4-5)11-10;/h2-4H,1H3,(H-,9,12);1H.
What are the key properties of 2-carbamoyl-5-methoxybenzenediazonium chloride?
2-carbamoyl-5-methoxybenzenediazonium chloride has a molecular weight of 213.62 g/mol, XLogP of -1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-5-methoxybenzenediazonium chloride is sourced from PubChem (CID 18991222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).