2-chloro-2-(2,6-diethoxyphenyl)acetamide

C12H16ClNO3 — CID 70093878

IUPAC2-chloro-2-(2,6-diethoxyphenyl)acetamide
SMILESCCOc1cccc(OCC)c1C(Cl)C(N)=O
InChIInChI=1S/C12H16ClNO3/c1-3-16-8-6-5-7-9(17-4-2)10(8)11(13)12(14)15/h5-7,11H,3-4H2,1-2H3,(H2,14,15)
InChIKeyVYNMMZMJAHQAEV-UHFFFAOYSA-N
MW257.72 g/mol
LogP2.25
Rot. Bonds6

About 2-chloro-2-(2,6-diethoxyphenyl)acetamide

2-chloro-2-(2,6-diethoxyphenyl)acetamide (PubChem CID 70093878) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-chloro-2-(2,6-diethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-2-(2,6-diethoxyphenyl)acetamide
PubChem CID70093878
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-chloro-2-(2,6-diethoxyphenyl)acetamide
SMILESCCOc1cccc(OCC)c1C(Cl)C(N)=O
InChIInChI=1S/C12H16ClNO3/c1-3-16-8-6-5-7-9(17-4-2)10(8)11(13)12(14)15/h5-7,11H,3-4H2,1-2H3,(H2,14,15)
InChIKeyVYNMMZMJAHQAEV-UHFFFAOYSA-N
XLogP2.25
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(2,6-diethylphenyl)acetamide
CID 70479437
(2R)-2-(2-ethoxyphenyl)-2-hydroxyacetamide
CID 94376566
2-amino-2-(2-ethoxy-6-hydroxyphenyl)acetic acid
CID 84678223
1-chloro-1-(3-ethoxy-2-fluorophenyl)propan-2-one
CID 131595691
2-(1-chloro-2-oxopropyl)-6-ethoxybenzoic acid
CID 170837659
1-chloro-1-(3-ethoxy-2-methoxyphenyl)butan-2-one
CID 82161484
1-(2-chloro-6-ethoxyphenyl)ethanamine
CID 130164060
2-amino-3-ethoxybenzamide
CID 70121071
2-(2-amino-1-hydroxyethyl)-3-ethoxyphenol
CID 18627913
4-amino-4-(2-ethoxy-6-hydroxyphenyl)butanoic acid
CID 117350552
2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid
CID 174512911
3-ethoxy-2-propan-2-ylaniline
CID 154678316

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(2,6-diethoxyphenyl)acetamide?
The IUPAC name of 2-chloro-2-(2,6-diethoxyphenyl)acetamide (CID 70093878) is 2-chloro-2-(2,6-diethoxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-2-(2,6-diethoxyphenyl)acetamide?
The canonical SMILES for 2-chloro-2-(2,6-diethoxyphenyl)acetamide is CCOc1cccc(OCC)c1C(Cl)C(N)=O.
What is the InChIKey of 2-chloro-2-(2,6-diethoxyphenyl)acetamide?
The InChIKey is VYNMMZMJAHQAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-3-16-8-6-5-7-9(17-4-2)10(8)11(13)12(14)15/h5-7,11H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of 2-chloro-2-(2,6-diethoxyphenyl)acetamide?
2-chloro-2-(2,6-diethoxyphenyl)acetamide has a molecular weight of 257.72 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(2,6-diethoxyphenyl)acetamide is sourced from PubChem (CID 70093878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).