3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide

C24H23FN2O3 — CID 166229727

IUPAC3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
SMILESCC(O)(CNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccco1
InChIInChI=1S/C24H23FN2O3/c1-24(29,21-7-4-14-30-21)15-26-22(28)13-12-19-18-5-2-3-6-20(18)27-23(19)16-8-10-17(25)11-9-16/h2-11,14,27,29H,12-13,15H2,1H3,(H,26,28)
InChIKeyBLTGOWAUCSHVDJ-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.52
Rot. Bonds7

About 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide

3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide (PubChem CID 166229727) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
PubChem CID166229727
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
SMILESCC(O)(CNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccco1
InChIInChI=1S/C24H23FN2O3/c1-24(29,21-7-4-14-30-21)15-26-22(28)13-12-19-18-5-2-3-6-20(18)27-23(19)16-8-10-17(25)11-9-16/h2-11,14,27,29H,12-13,15H2,1H3,(H,26,28)
InChIKeyBLTGOWAUCSHVDJ-UHFFFAOYSA-N
XLogP4.52
TPSA78.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide (CID 166229727) is 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide is CC(O)(CNC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccco1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide?
The InChIKey is BLTGOWAUCSHVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-24(29,21-7-4-14-30-21)15-26-22(28)13-12-19-18-5-2-3-6-20(18)27-23(19)16-8-10-17(25)11-9-16/h2-11,14,27,29H,12-13,15H2,1H3,(H,26,28).
What are the key properties of 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide?
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide has a molecular weight of 406.46 g/mol, XLogP of 4.52, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide is sourced from PubChem (CID 166229727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).