1-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-indol-7-yl]ethanone

C23H18FNO2 — CID 155561924

IUPAC1-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-indol-7-yl]ethanone
SMILESCOc1ccc(-c2cc(C(C)=O)c3[nH]c(-c4ccc(F)cc4)cc3c2)cc1
InChIInChI=1S/C23H18FNO2/c1-14(26)21-12-17(15-5-9-20(27-2)10-6-15)11-18-13-22(25-23(18)21)16-3-7-19(24)8-4-16/h3-13,25H,1-2H3
InChIKeyGMCCGTBMGOJOJI-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.85
Rot. Bonds4

About 1-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-indol-7-yl]ethanone

1-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-indol-7-yl]ethanone (PubChem CID 155561924) has the molecular formula C23H18FNO2 and a molecular weight of 359.40 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-indol-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-indol-7-yl]ethanone
PubChem CID155561924
Molecular FormulaC23H18FNO2
Molecular Weight359.40 g/mol
Exact Mass359.13
IUPAC Name1-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-indol-7-yl]ethanone
SMILESCOc1ccc(-c2cc(C(C)=O)c3[nH]c(-c4ccc(F)cc4)cc3c2)cc1
InChIInChI=1S/C23H18FNO2/c1-14(26)21-12-17(15-5-9-20(27-2)10-6-15)11-18-13-22(25-23(18)21)16-3-7-19(24)8-4-16/h3-13,25H,1-2H3
InChIKeyGMCCGTBMGOJOJI-UHFFFAOYSA-N
XLogP5.85
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-indol-7-yl]ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-indol-7-yl]ethanone (CID 155561924) is 1-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-indol-7-yl]ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-indol-7-yl]ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-indol-7-yl]ethanone is COc1ccc(-c2cc(C(C)=O)c3[nH]c(-c4ccc(F)cc4)cc3c2)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-indol-7-yl]ethanone?
The InChIKey is GMCCGTBMGOJOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO2/c1-14(26)21-12-17(15-5-9-20(27-2)10-6-15)11-18-13-22(25-23(18)21)16-3-7-19(24)8-4-16/h3-13,25H,1-2H3.
What are the key properties of 1-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-indol-7-yl]ethanone?
1-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-indol-7-yl]ethanone has a molecular weight of 359.40 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-indol-7-yl]ethanone is sourced from PubChem (CID 155561924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).