2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide

C11H14ClNO3 — CID 2392259

IUPAC2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CCl)cc1OC
InChIInChI=1S/C11H14ClNO3/c1-15-9-4-3-8(5-10(9)16-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyCETPWRGZGWGPSV-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.56
Rot. Bonds5

About 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide

2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 2392259) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide
PubChem CID2392259
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CCl)cc1OC
InChIInChI=1S/C11H14ClNO3/c1-15-9-4-3-8(5-10(9)16-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyCETPWRGZGWGPSV-UHFFFAOYSA-N
XLogP1.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

Capsaicin
CID 1548943
Zucapsaicin
CID 1548942
Arvanil
CID 6449767
N-Acetyl-3,4-dimethoxyphenethylamine
CID 80465
N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methylnon-6-enamide
CID 2548
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 4868340
3-(3,4-Dimethoxy-benzylamino)-propan-1-ol
CID 2048402
2-Chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
Nornorcapsaicin
CID 6442578
Norcapsaicin
CID 6442577
N-((4-methoxyphenyl)methyl)acetamide
CID 37050
n-[2-(3,4-Dimethoxyphenyl)ethyl]propanamide
CID 234679

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide (CID 2392259) is 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CCl)cc1OC.
What is the InChIKey of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is CETPWRGZGWGPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-15-9-4-3-8(5-10(9)16-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide?
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 243.69 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 2392259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).