2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C18H20ClNO3 — CID 10496902

IUPAC2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H20ClNO3/c1-22-16-7-6-13(11-17(16)23-2)8-9-20-18(21)12-14-4-3-5-15(19)10-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21)
InChIKeyZIEKVZXTAZSSBO-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.26
Rot. Bonds7

About 2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 10496902) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID10496902
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H20ClNO3/c1-22-16-7-6-13(11-17(16)23-2)8-9-20-18(21)12-14-4-3-5-15(19)10-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21)
InChIKeyZIEKVZXTAZSSBO-UHFFFAOYSA-N
XLogP3.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 26512399
1-[2-(3-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea
CID 11222686
1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 39433553
N-[2-(3-chlorophenyl)ethyl]-3-(3,4-dimethoxyanilino)propanamide
CID 109033247
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]acetamide
CID 108575203
[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667611
2-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine;oxalic acid
CID 17367589
N-[2-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686252
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 55525636
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 10496902) is 2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cc2cccc(Cl)c2)cc1OC.
What is the InChIKey of 2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is ZIEKVZXTAZSSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-22-16-7-6-13(11-17(16)23-2)8-9-20-18(21)12-14-4-3-5-15(19)10-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 333.82 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 10496902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).