2-(4-fluorophenyl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone

C23H19FN2O2 — CID 86728798

IUPAC2-(4-fluorophenyl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccc(F)cc2)c1
InChIInChI=1S/C23H19FN2O2/c1-28-18-6-4-5-17(13-18)26-22(15-9-11-16(24)12-10-15)23(27)20-14-25-21-8-3-2-7-19(20)21/h2-14,22,25-26H,1H3
InChIKeyNXJPIUKYIXFKBP-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.35
Rot. Bonds6

About 2-(4-fluorophenyl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone

2-(4-fluorophenyl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone (PubChem CID 86728798) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone
PubChem CID86728798
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name2-(4-fluorophenyl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone
SMILESCOc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccc(F)cc2)c1
InChIInChI=1S/C23H19FN2O2/c1-28-18-6-4-5-17(13-18)26-22(15-9-11-16(24)12-10-15)23(27)20-14-25-21-8-3-2-7-19(20)21/h2-14,22,25-26H,1H3
InChIKeyNXJPIUKYIXFKBP-UHFFFAOYSA-N
XLogP5.35
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone (CID 86728798) is 2-(4-fluorophenyl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone is COc1cccc(NC(C(=O)c2c[nH]c3ccccc23)c2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone?
The InChIKey is NXJPIUKYIXFKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-28-18-6-4-5-17(13-18)26-22(15-9-11-16(24)12-10-15)23(27)20-14-25-21-8-3-2-7-19(20)21/h2-14,22,25-26H,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone?
2-(4-fluorophenyl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone has a molecular weight of 374.42 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone is sourced from PubChem (CID 86728798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).