2-(4-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide

C17H15FN2O2 — CID 110859940

IUPAC2-(4-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cc2c[nH]c3cccc(F)c23)c1
InChIInChI=1S/C17H15FN2O2/c1-22-13-5-2-4-12(9-13)20-16(21)8-11-10-19-15-7-3-6-14(18)17(11)15/h2-7,9-10,19H,8H2,1H3,(H,20,21)
InChIKeyVSJFQOYBIWZUKS-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.50
Rot. Bonds4

About 2-(4-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide

2-(4-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide (PubChem CID 110859940) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-(4-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
PubChem CID110859940
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name2-(4-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cc2c[nH]c3cccc(F)c23)c1
InChIInChI=1S/C17H15FN2O2/c1-22-13-5-2-4-12(9-13)20-16(21)8-11-10-19-15-7-3-6-14(18)17(11)15/h2-7,9-10,19H,8H2,1H3,(H,20,21)
InChIKeyVSJFQOYBIWZUKS-UHFFFAOYSA-N
XLogP3.50
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110858538
2-(4-chloro-2-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 56920149
2-(4-hydroxyphenyl)-N-(3-methoxyphenyl)acetamide
CID 67668743
2-[[2-(2-fluorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 2516706
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
N-[3-(hydroxymethyl)phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 110910870
2-(4-fluorophenyl)sulfinyl-N-(3-methoxyphenyl)acetamide
CID 63793167
2-(2,4-dimethylphenyl)-N-(3-methoxyphenyl)acetamide
CID 56920709
2-(1H-imidazol-5-yl)-N-(3-methoxyphenyl)acetamide
CID 110684174
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
2-(1H-indol-3-yl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 38738127
N-(3-acetamidophenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 110861296

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide (CID 110859940) is 2-(4-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cc2c[nH]c3cccc(F)c23)c1.
What is the InChIKey of 2-(4-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is VSJFQOYBIWZUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-22-13-5-2-4-12(9-13)20-16(21)8-11-10-19-15-7-3-6-14(18)17(11)15/h2-7,9-10,19H,8H2,1H3,(H,20,21).
What are the key properties of 2-(4-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide?
2-(4-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 298.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 110859940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).