N-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

C19H18FNO3 — CID 27857986

IUPACN-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NCCc3cccc(F)c3)coc2c1
InChIInChI=1S/C19H18FNO3/c1-23-16-5-6-17-14(12-24-18(17)11-16)10-19(22)21-8-7-13-3-2-4-15(20)9-13/h2-6,9,11-12H,7-8,10H2,1H3,(H,21,22)
InChIKeySOTBTOUJVBHMDG-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.48
Rot. Bonds6

About N-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide

N-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (PubChem CID 27857986) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
PubChem CID27857986
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
SMILESCOc1ccc2c(CC(=O)NCCc3cccc(F)c3)coc2c1
InChIInChI=1S/C19H18FNO3/c1-23-16-5-6-17-14(12-24-18(17)11-16)10-19(22)21-8-7-13-3-2-4-15(20)9-13/h2-6,9,11-12H,7-8,10H2,1H3,(H,21,22)
InChIKeySOTBTOUJVBHMDG-UHFFFAOYSA-N
XLogP3.48
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
N-[2-(4-methoxyphenyl)ethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2107129
N-[2-(1-benzofuran-3-yl)ethyl]-N'-[(3-methoxyphenyl)methyl]propanediamide
CID 174143781
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 31449553
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2664215
2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134054992
N-[1-(2,4-difluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 51150333
N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 60666342
[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55373631
N'-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108946382
[2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7488750

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide (CID 27857986) is N-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is COc1ccc2c(CC(=O)NCCc3cccc(F)c3)coc2c1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
The InChIKey is SOTBTOUJVBHMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-23-16-5-6-17-14(12-24-18(17)11-16)10-19(22)21-8-7-13-3-2-4-15(20)9-13/h2-6,9,11-12H,7-8,10H2,1H3,(H,21,22).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide?
N-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide has a molecular weight of 327.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 27857986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).