2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride

C22H22ClFN2O2 — CID 66718908

IUPAC2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
SMILESCCOc1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)cn2)cc1.Cl
InChIInChI=1S/C22H21FN2O2.ClH/c1-2-27-20-9-7-18(8-10-20)21-11-6-17(14-24-21)13-22(26)25-15-16-4-3-5-19(23)12-16;/h3-12,14H,2,13,15H2,1H3,(H,25,26);1H
InChIKeyUFYOKWZWPCFDPQ-UHFFFAOYSA-N
MW400.88 g/mol
LogP4.57
Rot. Bonds7

About 2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride

2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride (PubChem CID 66718908) has the molecular formula C22H22ClFN2O2 and a molecular weight of 400.88 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
PubChem CID66718908
Molecular FormulaC22H22ClFN2O2
Molecular Weight400.88 g/mol
Exact Mass400.14
IUPAC Name2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride
SMILESCCOc1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)cn2)cc1.Cl
InChIInChI=1S/C22H21FN2O2.ClH/c1-2-27-20-9-7-18(8-10-20)21-11-6-17(14-24-21)13-22(26)25-15-16-4-3-5-19(23)12-16;/h3-12,14H,2,13,15H2,1H3,(H,25,26);1H
InChIKeyUFYOKWZWPCFDPQ-UHFFFAOYSA-N
XLogP4.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.88
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-[6-(4-methylsulfinylphenyl)-3-pyridinyl]acetamide
CID 145496447
2-[6-(4-ethoxyphenyl)-1-hydroxypyridin-1-ium-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 59000647
N-[(4-ethoxyphenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 110780897
N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)acetamide
CID 53288657
N-[(3-fluorophenyl)methyl]-2-[5-(4-methylphenyl)-2-pyridinyl]acetamide
CID 163790106
N-[(4-ethoxyphenyl)methyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 71825312
N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78900659
N-[2-(4-ethylphenoxy)ethyl]-2-(3-fluorophenyl)acetamide
CID 113100102
2-(4-ethoxyphenyl)-N-(3-fluorophenyl)acetamide
CID 26579486
N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 46590053
2-[5-[2-fluoro-4-(3-methoxypropoxy)phenyl]-2-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide
CID 70934294
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53286601

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride (CID 66718908) is 2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride is CCOc1ccc(-c2ccc(CC(=O)NCc3cccc(F)c3)cn2)cc1.Cl.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride?
The InChIKey is UFYOKWZWPCFDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2.ClH/c1-2-27-20-9-7-18(8-10-20)21-11-6-17(14-24-21)13-22(26)25-15-16-4-3-5-19(23)12-16;/h3-12,14H,2,13,15H2,1H3,(H,25,26);1H.
What are the key properties of 2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride?
2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride has a molecular weight of 400.88 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethoxyphenyl)-3-pyridinyl]-N-[(3-fluorophenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 66718908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).