2-chloro-2-[2-(methoxymethyl)-5-methylphenyl]acetamide

C11H14ClNO2 — CID 126650456

IUPAC2-chloro-2-[2-(methoxymethyl)-5-methylphenyl]acetamide
SMILESCOCc1ccc(C)cc1C(Cl)C(N)=O
InChIInChI=1S/C11H14ClNO2/c1-7-3-4-8(6-15-2)9(5-7)10(12)11(13)14/h3-5,10H,6H2,1-2H3,(H2,13,14)
InChIKeyJQVUPZVALXEYSJ-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.91
Rot. Bonds4

About 2-chloro-2-[2-(methoxymethyl)-5-methylphenyl]acetamide

2-chloro-2-[2-(methoxymethyl)-5-methylphenyl]acetamide (PubChem CID 126650456) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-2-[2-(methoxymethyl)-5-methylphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-2-[2-(methoxymethyl)-5-methylphenyl]acetamide
PubChem CID126650456
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-2-[2-(methoxymethyl)-5-methylphenyl]acetamide
SMILESCOCc1ccc(C)cc1C(Cl)C(N)=O
InChIInChI=1S/C11H14ClNO2/c1-7-3-4-8(6-15-2)9(5-7)10(12)11(13)14/h3-5,10H,6H2,1-2H3,(H2,13,14)
InChIKeyJQVUPZVALXEYSJ-UHFFFAOYSA-N
XLogP1.91
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-[2-(methoxymethyl)-5-methylphenyl]acetamide?
The IUPAC name of 2-chloro-2-[2-(methoxymethyl)-5-methylphenyl]acetamide (CID 126650456) is 2-chloro-2-[2-(methoxymethyl)-5-methylphenyl]acetamide.
What is the SMILES notation for 2-chloro-2-[2-(methoxymethyl)-5-methylphenyl]acetamide?
The canonical SMILES for 2-chloro-2-[2-(methoxymethyl)-5-methylphenyl]acetamide is COCc1ccc(C)cc1C(Cl)C(N)=O.
What is the InChIKey of 2-chloro-2-[2-(methoxymethyl)-5-methylphenyl]acetamide?
The InChIKey is JQVUPZVALXEYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7-3-4-8(6-15-2)9(5-7)10(12)11(13)14/h3-5,10H,6H2,1-2H3,(H2,13,14).
What are the key properties of 2-chloro-2-[2-(methoxymethyl)-5-methylphenyl]acetamide?
2-chloro-2-[2-(methoxymethyl)-5-methylphenyl]acetamide has a molecular weight of 227.69 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-[2-(methoxymethyl)-5-methylphenyl]acetamide is sourced from PubChem (CID 126650456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).