3-(7-fluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide

C21H20FN3O3 — CID 154961231

IUPAC3-(7-fluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide
SMILESO=C(CCc1c(-c2ccccc2)[nH]c2c(F)cccc12)N[C@@H]1C(=O)NC[C@H]1O
InChIInChI=1S/C21H20FN3O3/c22-15-8-4-7-13-14(18(25-19(13)15)12-5-2-1-3-6-12)9-10-17(27)24-20-16(26)11-23-21(20)28/h1-8,16,20,25-26H,9-11H2,(H,23,28)(H,24,27)/t16-,20+/m1/s1
InChIKeyCUZSXGJQLRGFIL-UZLBHIALSA-N
MW381.41 g/mol
LogP1.88
Rot. Bonds5

About 3-(7-fluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide

3-(7-fluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide (PubChem CID 154961231) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-(7-fluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(7-fluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide
PubChem CID154961231
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name3-(7-fluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide
SMILESO=C(CCc1c(-c2ccccc2)[nH]c2c(F)cccc12)N[C@@H]1C(=O)NC[C@H]1O
InChIInChI=1S/C21H20FN3O3/c22-15-8-4-7-13-14(18(25-19(13)15)12-5-2-1-3-6-12)9-10-17(27)24-20-16(26)11-23-21(20)28/h1-8,16,20,25-26H,9-11H2,(H,23,28)(H,24,27)/t16-,20+/m1/s1
InChIKeyCUZSXGJQLRGFIL-UZLBHIALSA-N
XLogP1.88
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-(7-fluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(7-fluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide (CID 154961231) is 3-(7-fluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(7-fluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(7-fluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide is O=C(CCc1c(-c2ccccc2)[nH]c2c(F)cccc12)N[C@@H]1C(=O)NC[C@H]1O.
What is the InChIKey of 3-(7-fluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide?
The InChIKey is CUZSXGJQLRGFIL-UZLBHIALSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-15-8-4-7-13-14(18(25-19(13)15)12-5-2-1-3-6-12)9-10-17(27)24-20-16(26)11-23-21(20)28/h1-8,16,20,25-26H,9-11H2,(H,23,28)(H,24,27)/t16-,20+/m1/s1.
What are the key properties of 3-(7-fluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide?
3-(7-fluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide has a molecular weight of 381.41 g/mol, XLogP of 1.88, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-2-phenyl-1H-indol-3-yl)-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 154961231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).