2-chloro-N-(3,5-dimethoxyphenyl)acetamide

C10H12ClNO3 — CID 2303719

IUPAC2-chloro-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CCl)cc(OC)c1
InChIInChI=1S/C10H12ClNO3/c1-14-8-3-7(12-10(13)6-11)4-9(5-8)15-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyOAFXUKHPQCSRPT-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.88
Rot. Bonds4

About 2-chloro-N-(3,5-dimethoxyphenyl)acetamide

2-chloro-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 2303719) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID2303719
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-chloro-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CCl)cc(OC)c1
InChIInChI=1S/C10H12ClNO3/c1-14-8-3-7(12-10(13)6-11)4-9(5-8)15-2/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyOAFXUKHPQCSRPT-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-(3,5-dimethoxyphenyl)acetamide (CID 2303719) is 2-chloro-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CCl)cc(OC)c1.
What is the InChIKey of 2-chloro-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is OAFXUKHPQCSRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-14-8-3-7(12-10(13)6-11)4-9(5-8)15-2/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-chloro-N-(3,5-dimethoxyphenyl)acetamide?
2-chloro-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 229.66 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 2303719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).