4-benzamido-2-methoxy-5-methylbenzenediazonium chloride

C15H14ClN3O2 — CID 2724084

IUPAC4-benzamido-2-methoxy-5-methylbenzenediazonium chloride
SMILESCOc1cc(NC(=O)c2ccccc2)c(C)cc1[N+]#N.[Cl-]
InChIInChI=1S/C15H13N3O2.ClH/c1-10-8-13(18-16)14(20-2)9-12(10)17-15(19)11-6-4-3-5-7-11;/h3-9H,1-2H3;1H
InChIKeyITVGNDNRQIXCLH-UHFFFAOYSA-N
MW303.75 g/mol
LogP0.74
Rot. Bonds3

About 4-benzamido-2-methoxy-5-methylbenzenediazonium chloride

4-benzamido-2-methoxy-5-methylbenzenediazonium chloride (PubChem CID 2724084) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 4-benzamido-2-methoxy-5-methylbenzenediazonium chloride.

Molecular Properties

Compound Name4-benzamido-2-methoxy-5-methylbenzenediazonium chloride
PubChem CID2724084
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name4-benzamido-2-methoxy-5-methylbenzenediazonium chloride
SMILESCOc1cc(NC(=O)c2ccccc2)c(C)cc1[N+]#N.[Cl-]
InChIInChI=1S/C15H13N3O2.ClH/c1-10-8-13(18-16)14(20-2)9-12(10)17-15(19)11-6-4-3-5-7-11;/h3-9H,1-2H3;1H
InChIKeyITVGNDNRQIXCLH-UHFFFAOYSA-N
XLogP0.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzamido-2-methoxy-5-methylbenzenediazonium chloride?
The IUPAC name of 4-benzamido-2-methoxy-5-methylbenzenediazonium chloride (CID 2724084) is 4-benzamido-2-methoxy-5-methylbenzenediazonium chloride.
What is the SMILES notation for 4-benzamido-2-methoxy-5-methylbenzenediazonium chloride?
The canonical SMILES for 4-benzamido-2-methoxy-5-methylbenzenediazonium chloride is COc1cc(NC(=O)c2ccccc2)c(C)cc1[N+]#N.[Cl-].
What is the InChIKey of 4-benzamido-2-methoxy-5-methylbenzenediazonium chloride?
The InChIKey is ITVGNDNRQIXCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2.ClH/c1-10-8-13(18-16)14(20-2)9-12(10)17-15(19)11-6-4-3-5-7-11;/h3-9H,1-2H3;1H.
What are the key properties of 4-benzamido-2-methoxy-5-methylbenzenediazonium chloride?
4-benzamido-2-methoxy-5-methylbenzenediazonium chloride has a molecular weight of 303.75 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-2-methoxy-5-methylbenzenediazonium chloride is sourced from PubChem (CID 2724084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).