2-[5-fluoro-2-methyl-3-(1-naphthalen-2-ylethyl)-1H-indol-4-yl]acetic acid

C23H20FNO2 — CID 91372097

IUPAC2-[5-fluoro-2-methyl-3-(1-naphthalen-2-ylethyl)-1H-indol-4-yl]acetic acid
SMILESCc1[nH]c2ccc(F)c(CC(=O)O)c2c1C(C)c1ccc2ccccc2c1
InChIInChI=1S/C23H20FNO2/c1-13(16-8-7-15-5-3-4-6-17(15)11-16)22-14(2)25-20-10-9-19(24)18(23(20)22)12-21(26)27/h3-11,13,25H,12H2,1-2H3,(H,26,27)
InChIKeyLUNBMSXXJHBVAD-UHFFFAOYSA-N
MW361.42 g/mol
LogP5.55
Rot. Bonds4

About 2-[5-fluoro-2-methyl-3-(1-naphthalen-2-ylethyl)-1H-indol-4-yl]acetic acid

2-[5-fluoro-2-methyl-3-(1-naphthalen-2-ylethyl)-1H-indol-4-yl]acetic acid (PubChem CID 91372097) has the molecular formula C23H20FNO2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[5-fluoro-2-methyl-3-(1-naphthalen-2-ylethyl)-1H-indol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-methyl-3-(1-naphthalen-2-ylethyl)-1H-indol-4-yl]acetic acid
PubChem CID91372097
Molecular FormulaC23H20FNO2
Molecular Weight361.42 g/mol
Exact Mass361.15
IUPAC Name2-[5-fluoro-2-methyl-3-(1-naphthalen-2-ylethyl)-1H-indol-4-yl]acetic acid
SMILESCc1[nH]c2ccc(F)c(CC(=O)O)c2c1C(C)c1ccc2ccccc2c1
InChIInChI=1S/C23H20FNO2/c1-13(16-8-7-15-5-3-4-6-17(15)11-16)22-14(2)25-20-10-9-19(24)18(23(20)22)12-21(26)27/h3-11,13,25H,12H2,1-2H3,(H,26,27)
InChIKeyLUNBMSXXJHBVAD-UHFFFAOYSA-N
XLogP5.55
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.42
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-methyl-3-(1-naphthalen-2-ylethyl)-1H-indol-4-yl]acetic acid?
The IUPAC name of 2-[5-fluoro-2-methyl-3-(1-naphthalen-2-ylethyl)-1H-indol-4-yl]acetic acid (CID 91372097) is 2-[5-fluoro-2-methyl-3-(1-naphthalen-2-ylethyl)-1H-indol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-methyl-3-(1-naphthalen-2-ylethyl)-1H-indol-4-yl]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-methyl-3-(1-naphthalen-2-ylethyl)-1H-indol-4-yl]acetic acid is Cc1[nH]c2ccc(F)c(CC(=O)O)c2c1C(C)c1ccc2ccccc2c1.
What is the InChIKey of 2-[5-fluoro-2-methyl-3-(1-naphthalen-2-ylethyl)-1H-indol-4-yl]acetic acid?
The InChIKey is LUNBMSXXJHBVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNO2/c1-13(16-8-7-15-5-3-4-6-17(15)11-16)22-14(2)25-20-10-9-19(24)18(23(20)22)12-21(26)27/h3-11,13,25H,12H2,1-2H3,(H,26,27).
What are the key properties of 2-[5-fluoro-2-methyl-3-(1-naphthalen-2-ylethyl)-1H-indol-4-yl]acetic acid?
2-[5-fluoro-2-methyl-3-(1-naphthalen-2-ylethyl)-1H-indol-4-yl]acetic acid has a molecular weight of 361.42 g/mol, XLogP of 5.55, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-methyl-3-(1-naphthalen-2-ylethyl)-1H-indol-4-yl]acetic acid is sourced from PubChem (CID 91372097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).