2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride

C16H16ClN3O3 — CID 163846426

IUPAC2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride
SMILESCOc1cc(NC(=O)Cc2ccccc2)c(OC)cc1[N+]#N.[Cl-]
InChIInChI=1S/C16H15N3O3.ClH/c1-21-14-10-13(19-17)15(22-2)9-12(14)18-16(20)8-11-6-4-3-5-7-11;/h3-7,9-10H,8H2,1-2H3;1H
InChIKeyOQOQMZYFIHGZFC-UHFFFAOYSA-N
MW333.78 g/mol
LogP0.37
Rot. Bonds5

About 2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride

2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride (PubChem CID 163846426) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride.

Molecular Properties

Compound Name2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride
PubChem CID163846426
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride
SMILESCOc1cc(NC(=O)Cc2ccccc2)c(OC)cc1[N+]#N.[Cl-]
InChIInChI=1S/C16H15N3O3.ClH/c1-21-14-10-13(19-17)15(22-2)9-12(14)18-16(20)8-11-6-4-3-5-7-11;/h3-7,9-10H,8H2,1-2H3;1H
InChIKeyOQOQMZYFIHGZFC-UHFFFAOYSA-N
XLogP0.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]-3-methylbutanamide
CID 1428034
2-[[2,5-dimethoxy-4-[(2-phenylacetyl)amino]phenyl]carbamoyl]benzoic acid
CID 1428068
N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
CID 104848948
N-(5-formyl-2-methoxyphenyl)-2-phenylacetamide
CID 82156108
4-benzamido-5-methoxy-2-methylbenzenediazonium
CID 23558418
4-methoxy-2-[(2-phenylacetyl)amino]benzoic acid
CID 115411059
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 17427883
N-(2-phenoxyphenyl)-2-phenylacetamide
CID 1121260
ethyl 2-[3-methoxy-4-[[2-(4-phenoxyphenyl)acetyl]amino]phenoxy]acetate
CID 139985252
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523973
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523284
N-(5-acetamido-2,4-dimethoxyphenyl)-3-phenylpropanamide
CID 6490974

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride?
The IUPAC name of 2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride (CID 163846426) is 2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride.
What is the SMILES notation for 2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride?
The canonical SMILES for 2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride is COc1cc(NC(=O)Cc2ccccc2)c(OC)cc1[N+]#N.[Cl-].
What is the InChIKey of 2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride?
The InChIKey is OQOQMZYFIHGZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3.ClH/c1-21-14-10-13(19-17)15(22-2)9-12(14)18-16(20)8-11-6-4-3-5-7-11;/h3-7,9-10H,8H2,1-2H3;1H.
What are the key properties of 2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride?
2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride has a molecular weight of 333.78 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride is sourced from PubChem (CID 163846426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).