1-(4-fluorophenyl)-2-[1-(5-methoxy-2-propyl-1H-indol-3-yl)pyrrolidin-3-yl]ethanone

C24H27FN2O2 — CID 67725168

IUPAC1-(4-fluorophenyl)-2-[1-(5-methoxy-2-propyl-1H-indol-3-yl)pyrrolidin-3-yl]ethanone
SMILESCCCc1[nH]c2ccc(OC)cc2c1N1CCC(CC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C24H27FN2O2/c1-3-4-22-24(20-14-19(29-2)9-10-21(20)26-22)27-12-11-16(15-27)13-23(28)17-5-7-18(25)8-6-17/h5-10,14,16,26H,3-4,11-13,15H2,1-2H3
InChIKeyFQYJYCOSNWEGFS-UHFFFAOYSA-N
MW394.49 g/mol
LogP5.37
Rot. Bonds7

About 1-(4-fluorophenyl)-2-[1-(5-methoxy-2-propyl-1H-indol-3-yl)pyrrolidin-3-yl]ethanone

1-(4-fluorophenyl)-2-[1-(5-methoxy-2-propyl-1H-indol-3-yl)pyrrolidin-3-yl]ethanone (PubChem CID 67725168) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[1-(5-methoxy-2-propyl-1H-indol-3-yl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[1-(5-methoxy-2-propyl-1H-indol-3-yl)pyrrolidin-3-yl]ethanone
PubChem CID67725168
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name1-(4-fluorophenyl)-2-[1-(5-methoxy-2-propyl-1H-indol-3-yl)pyrrolidin-3-yl]ethanone
SMILESCCCc1[nH]c2ccc(OC)cc2c1N1CCC(CC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C24H27FN2O2/c1-3-4-22-24(20-14-19(29-2)9-10-21(20)26-22)27-12-11-16(15-27)13-23(28)17-5-7-18(25)8-6-17/h5-10,14,16,26H,3-4,11-13,15H2,1-2H3
InChIKeyFQYJYCOSNWEGFS-UHFFFAOYSA-N
XLogP5.37
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.49
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[1-(5-methoxy-2-propyl-1H-indol-3-yl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[1-(5-methoxy-2-propyl-1H-indol-3-yl)pyrrolidin-3-yl]ethanone (CID 67725168) is 1-(4-fluorophenyl)-2-[1-(5-methoxy-2-propyl-1H-indol-3-yl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[1-(5-methoxy-2-propyl-1H-indol-3-yl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[1-(5-methoxy-2-propyl-1H-indol-3-yl)pyrrolidin-3-yl]ethanone is CCCc1[nH]c2ccc(OC)cc2c1N1CCC(CC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[1-(5-methoxy-2-propyl-1H-indol-3-yl)pyrrolidin-3-yl]ethanone?
The InChIKey is FQYJYCOSNWEGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c1-3-4-22-24(20-14-19(29-2)9-10-21(20)26-22)27-12-11-16(15-27)13-23(28)17-5-7-18(25)8-6-17/h5-10,14,16,26H,3-4,11-13,15H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-[1-(5-methoxy-2-propyl-1H-indol-3-yl)pyrrolidin-3-yl]ethanone?
1-(4-fluorophenyl)-2-[1-(5-methoxy-2-propyl-1H-indol-3-yl)pyrrolidin-3-yl]ethanone has a molecular weight of 394.49 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[1-(5-methoxy-2-propyl-1H-indol-3-yl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 67725168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).