2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide

C19H22FNO4 — CID 113095667

IUPAC2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
SMILESCOc1cc(CCNC(=O)Cc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C19H22FNO4/c1-23-16-10-13(11-17(24-2)19(16)25-3)8-9-21-18(22)12-14-6-4-5-7-15(14)20/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyJTTFYJHRWXDZGZ-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.75
Rot. Bonds8

About 2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide

2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide (PubChem CID 113095667) has the molecular formula C19H22FNO4 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
PubChem CID113095667
Molecular FormulaC19H22FNO4
Molecular Weight347.39 g/mol
Exact Mass347.15
IUPAC Name2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
SMILESCOc1cc(CCNC(=O)Cc2ccccc2F)cc(OC)c1OC
InChIInChI=1S/C19H22FNO4/c1-23-16-10-13(11-17(24-2)19(16)25-3)8-9-21-18(22)12-14-6-4-5-7-15(14)20/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22)
InChIKeyJTTFYJHRWXDZGZ-UHFFFAOYSA-N
XLogP2.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-fluorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 55482057
N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60589869
N'-[2-(2-fluorophenyl)acetyl]-3,4,5-trimethoxybenzohydrazide
CID 2117359
N'-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 19838083
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2,5-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788190
N-[2-(2-hydroxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 110605237
2-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 110767149
2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 108997641
1-[2-(2-fluorophenyl)ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111361676
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 60972241

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide (CID 113095667) is 2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide is COc1cc(CCNC(=O)Cc2ccccc2F)cc(OC)c1OC.
What is the InChIKey of 2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
The InChIKey is JTTFYJHRWXDZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4/c1-23-16-10-13(11-17(24-2)19(16)25-3)8-9-21-18(22)12-14-6-4-5-7-15(14)20/h4-7,10-11H,8-9,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide?
2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide has a molecular weight of 347.39 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113095667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).