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

C18H20FNO3 — CID 7336900

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H20FNO3/c1-22-16-8-5-14(11-17(16)23-2)12-18(21)20-10-9-13-3-6-15(19)7-4-13/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyCFJSLQYRUMSVIJ-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.74
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 7336900) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID7336900
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H20FNO3/c1-22-16-8-5-14(11-17(16)23-2)12-18(21)20-10-9-13-3-6-15(19)7-4-13/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyCFJSLQYRUMSVIJ-UHFFFAOYSA-N
XLogP2.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[2-[4-(dimethylamino)phenyl]ethyl]acetamide
CID 16889439
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
2-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 110767149
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789806
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 46532046
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7878245
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
2-(3,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)prop-2-ynyl]acetamide
CID 90548184
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)butyl]acetamide
CID 110288813
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 7336900) is 2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide is COc1ccc(CC(=O)NCCc2ccc(F)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is CFJSLQYRUMSVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-22-16-8-5-14(11-17(16)23-2)12-18(21)20-10-9-13-3-6-15(19)7-4-13/h3-8,11H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 317.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 7336900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).