2-diazo-2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide

C10H9Cl2N3O2 — CID 86732607

IUPAC2-diazo-2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)C(=[N+]=[N-])c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2N3O2/c1-15(17-2)10(16)9(14-13)6-3-4-7(11)8(12)5-6/h3-5H,1-2H3
InChIKeyBLCUNSSQGSAAFU-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.03
Rot. Bonds3

About 2-diazo-2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide

2-diazo-2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide (PubChem CID 86732607) has the molecular formula C10H9Cl2N3O2 and a molecular weight of 274.11 g/mol. Its IUPAC name is 2-diazo-2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-diazo-2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide
PubChem CID86732607
Molecular FormulaC10H9Cl2N3O2
Molecular Weight274.11 g/mol
Exact Mass273.01
IUPAC Name2-diazo-2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)C(=[N+]=[N-])c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2N3O2/c1-15(17-2)10(16)9(14-13)6-3-4-7(11)8(12)5-6/h3-5H,1-2H3
InChIKeyBLCUNSSQGSAAFU-UHFFFAOYSA-N
XLogP2.03
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'Oxygen-nitrogen_single_bond', '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-methoxy-N-methylacetamide?
The IUPAC name of 2-diazo-2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide (CID 86732607) is 2-diazo-2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-diazo-2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-diazo-2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide is CON(C)C(=O)C(=[N+]=[N-])c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-diazo-2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide?
The InChIKey is BLCUNSSQGSAAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O2/c1-15(17-2)10(16)9(14-13)6-3-4-7(11)8(12)5-6/h3-5H,1-2H3.
What are the key properties of 2-diazo-2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide?
2-diazo-2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide has a molecular weight of 274.11 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 86732607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).