2-diazo-2-(3,4-dichlorophenyl)-N-methyl-N-phenylacetamide

C15H11Cl2N3O — CID 154710022

IUPAC2-diazo-2-(3,4-dichlorophenyl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)C(=[N+]=[N-])c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H11Cl2N3O/c1-20(11-5-3-2-4-6-11)15(21)14(19-18)10-7-8-12(16)13(17)9-10/h2-9H,1H3
InChIKeyNNVQTKKVLRJGDY-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.68
Rot. Bonds3

About 2-diazo-2-(3,4-dichlorophenyl)-N-methyl-N-phenylacetamide

2-diazo-2-(3,4-dichlorophenyl)-N-methyl-N-phenylacetamide (PubChem CID 154710022) has the molecular formula C15H11Cl2N3O and a molecular weight of 320.18 g/mol. Its IUPAC name is 2-diazo-2-(3,4-dichlorophenyl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-diazo-2-(3,4-dichlorophenyl)-N-methyl-N-phenylacetamide
PubChem CID154710022
Molecular FormulaC15H11Cl2N3O
Molecular Weight320.18 g/mol
Exact Mass319.03
IUPAC Name2-diazo-2-(3,4-dichlorophenyl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)C(=[N+]=[N-])c1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C15H11Cl2N3O/c1-20(11-5-3-2-4-6-11)15(21)14(19-18)10-7-8-12(16)13(17)9-10/h2-9H,1H3
InChIKeyNNVQTKKVLRJGDY-UHFFFAOYSA-N
XLogP3.68
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diazo-2-(3,4-dichlorophenyl)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-diazo-2-(3,4-dichlorophenyl)-N-methyl-N-phenylacetamide (CID 154710022) is 2-diazo-2-(3,4-dichlorophenyl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-diazo-2-(3,4-dichlorophenyl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-diazo-2-(3,4-dichlorophenyl)-N-methyl-N-phenylacetamide is CN(C(=O)C(=[N+]=[N-])c1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-diazo-2-(3,4-dichlorophenyl)-N-methyl-N-phenylacetamide?
The InChIKey is NNVQTKKVLRJGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O/c1-20(11-5-3-2-4-6-11)15(21)14(19-18)10-7-8-12(16)13(17)9-10/h2-9H,1H3.
What are the key properties of 2-diazo-2-(3,4-dichlorophenyl)-N-methyl-N-phenylacetamide?
2-diazo-2-(3,4-dichlorophenyl)-N-methyl-N-phenylacetamide has a molecular weight of 320.18 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-2-(3,4-dichlorophenyl)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 154710022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).