4-benzamido-3-chlorobenzenediazonium chloride

C13H9Cl2N3O — CID 71334020

IUPAC4-benzamido-3-chlorobenzenediazonium chloride
SMILESN#[N+]c1ccc(NC(=O)c2ccccc2)c(Cl)c1.[Cl-]
InChIInChI=1S/C13H8ClN3O.ClH/c14-11-8-10(17-15)6-7-12(11)16-13(18)9-4-2-1-3-5-9;/h1-8H;1H
InChIKeyPBVXUNLEIGFBEZ-UHFFFAOYSA-N
MW294.14 g/mol
LogP1.08
Rot. Bonds2

About 4-benzamido-3-chlorobenzenediazonium chloride

4-benzamido-3-chlorobenzenediazonium chloride (PubChem CID 71334020) has the molecular formula C13H9Cl2N3O and a molecular weight of 294.14 g/mol. Its IUPAC name is 4-benzamido-3-chlorobenzenediazonium chloride.

Molecular Properties

Compound Name4-benzamido-3-chlorobenzenediazonium chloride
PubChem CID71334020
Molecular FormulaC13H9Cl2N3O
Molecular Weight294.14 g/mol
Exact Mass293.01
IUPAC Name4-benzamido-3-chlorobenzenediazonium chloride
SMILESN#[N+]c1ccc(NC(=O)c2ccccc2)c(Cl)c1.[Cl-]
InChIInChI=1S/C13H8ClN3O.ClH/c14-11-8-10(17-15)6-7-12(11)16-13(18)9-4-2-1-3-5-9;/h1-8H;1H
InChIKeyPBVXUNLEIGFBEZ-UHFFFAOYSA-N
XLogP1.08
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dichloro-4-methylphenyl)benzamide
CID 115761007
ethyl 4-benzamido-3-chlorobenzoate
CID 28634288
4-benzamido-N-(2-chloro-4-fluorophenyl)benzamide
CID 30705488
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
N-(2,5-dichlorophenyl)benzamide;hydroiodide
CID 175991469
4-bromo-N-(4-bromo-2-chlorophenyl)benzamide
CID 7924398
N-(2-chloro-4-fluorophenyl)-4-(2-phenylethynyl)benzamide
CID 24534991
2-[(2,4-dichlorophenyl)carbamoyl]benzoic acid
CID 3883439
N-(2-chlorophenyl)-3-methylbenzamide
CID 675649
N-(4-amino-2-chlorophenyl)-2-chlorobenzamide
CID 960633
4-amino-3,5-dichloro-N-(2-chlorophenyl)benzamide
CID 82832841
N-(2-chlorophenyl)pyridine-4-carboxamide;hydrochloride
CID 110756414

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-3-chlorobenzenediazonium chloride?
The IUPAC name of 4-benzamido-3-chlorobenzenediazonium chloride (CID 71334020) is 4-benzamido-3-chlorobenzenediazonium chloride.
What is the SMILES notation for 4-benzamido-3-chlorobenzenediazonium chloride?
The canonical SMILES for 4-benzamido-3-chlorobenzenediazonium chloride is N#[N+]c1ccc(NC(=O)c2ccccc2)c(Cl)c1.[Cl-].
What is the InChIKey of 4-benzamido-3-chlorobenzenediazonium chloride?
The InChIKey is PBVXUNLEIGFBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O.ClH/c14-11-8-10(17-15)6-7-12(11)16-13(18)9-4-2-1-3-5-9;/h1-8H;1H.
What are the key properties of 4-benzamido-3-chlorobenzenediazonium chloride?
4-benzamido-3-chlorobenzenediazonium chloride has a molecular weight of 294.14 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-3-chlorobenzenediazonium chloride is sourced from PubChem (CID 71334020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).