2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide

C10H13ClN2O2 — CID 16792879

IUPAC2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(N)cc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-13(2)10(14)6-15-9-4-3-7(12)5-8(9)11/h3-5H,6,12H2,1-2H3
InChIKeyQMIBJUDMZKMKNM-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.39
Rot. Bonds3

About 2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide

2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide (PubChem CID 16792879) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide
PubChem CID16792879
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccc(N)cc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-13(2)10(14)6-15-9-4-3-7(12)5-8(9)11/h3-5H,6,12H2,1-2H3
InChIKeyQMIBJUDMZKMKNM-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide (CID 16792879) is 2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide is CN(C)C(=O)COc1ccc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide?
The InChIKey is QMIBJUDMZKMKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-13(2)10(14)6-15-9-4-3-7(12)5-8(9)11/h3-5H,6,12H2,1-2H3.
What are the key properties of 2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide?
2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide has a molecular weight of 228.68 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 16792879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).