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

C10H11Cl2NO2 — CID 15278933

IUPAC2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO2/c1-13(15-2)10(14)6-7-3-4-8(11)9(12)5-7/h3-5H,6H2,1-2H3
InChIKeyQREMLPRPTUNAQM-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.56
Rot. Bonds3

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

2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide (PubChem CID 15278933) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide
PubChem CID15278933
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO2/c1-13(15-2)10(14)6-7-3-4-8(11)9(12)5-7/h3-5H,6H2,1-2H3
InChIKeyQREMLPRPTUNAQM-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide (CID 15278933) is 2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide is CON(C)C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide?
The InChIKey is QREMLPRPTUNAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-13(15-2)10(14)6-7-3-4-8(11)9(12)5-7/h3-5H,6H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide?
2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide has a molecular weight of 248.11 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methoxy-N-methylacetamide is sourced from PubChem (CID 15278933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).