2-chloro-N-(3-methoxyphenyl)acetamide

C9H10ClNO2 — CID 28667

IUPAC2-chloro-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CCl)c1
InChIInChI=1S/C9H10ClNO2/c1-13-8-4-2-3-7(5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKeyJJNAIBJFYFWTIA-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.87
Rot. Bonds3

About 2-chloro-N-(3-methoxyphenyl)acetamide

2-chloro-N-(3-methoxyphenyl)acetamide (PubChem CID 28667) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-chloro-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-methoxyphenyl)acetamide
PubChem CID28667
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-chloro-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CCl)c1
InChIInChI=1S/C9H10ClNO2/c1-13-8-4-2-3-7(5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKeyJJNAIBJFYFWTIA-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(3-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-chloro-N-(3-methoxyphenyl)acetamide (CID 28667) is 2-chloro-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-(3-methoxyphenyl)acetamide?
The InChIKey is JJNAIBJFYFWTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-13-8-4-2-3-7(5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12).
What are the key properties of 2-chloro-N-(3-methoxyphenyl)acetamide?
2-chloro-N-(3-methoxyphenyl)acetamide has a molecular weight of 199.64 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 28667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).