2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide

C9H9Cl2NO2 — CID 11367

IUPAC2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide
SMILESCN(C(=O)C(Cl)Cl)c1ccc(O)cc1
InChIInChI=1S/C9H9Cl2NO2/c1-12(9(14)8(10)11)6-2-4-7(13)5-3-6/h2-5,8,13H,1H3
InChIKeyGZZZSOOGQLOEOB-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.16
Rot. Bonds2

About 2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide

2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide (PubChem CID 11367) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is 2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide
PubChem CID11367
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Name2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide
SMILESCN(C(=O)C(Cl)Cl)c1ccc(O)cc1
InChIInChI=1S/C9H9Cl2NO2/c1-12(9(14)8(10)11)6-2-4-7(13)5-3-6/h2-5,8,13H,1H3
InChIKeyGZZZSOOGQLOEOB-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.16
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 2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of 2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide (CID 11367) is 2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for 2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide is CN(C(=O)C(Cl)Cl)c1ccc(O)cc1.
What is the InChIKey of 2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide?
The InChIKey is GZZZSOOGQLOEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-12(9(14)8(10)11)6-2-4-7(13)5-3-6/h2-5,8,13H,1H3.
What are the key properties of 2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide?
2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide has a molecular weight of 234.08 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 11367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).