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

C22H22FN3O3 — CID 153007505

IUPAC3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide
SMILESCc1cccc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C22H22FN3O3/c1-12-3-2-4-15-16(9-10-18(28)25-21-17(27)11-24-22(21)29)20(26-19(12)15)13-5-7-14(23)8-6-13/h2-8,17,21,26-27H,9-11H2,1H3,(H,24,29)(H,25,28)/t17-,21+/m1/s1
InChIKeyUZKJBFDYHRNRDN-UTKZUKDTSA-N
MW395.43 g/mol
LogP2.19
Rot. Bonds5

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

3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide (PubChem CID 153007505) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide
PubChem CID153007505
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide
SMILESCc1cccc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C22H22FN3O3/c1-12-3-2-4-15-16(9-10-18(28)25-21-17(27)11-24-22(21)29)20(26-19(12)15)13-5-7-14(23)8-6-13/h2-8,17,21,26-27H,9-11H2,1H3,(H,24,29)(H,25,28)/t17-,21+/m1/s1
InChIKeyUZKJBFDYHRNRDN-UTKZUKDTSA-N
XLogP2.19
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide (CID 153007505) is 3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide is Cc1cccc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccc(F)cc3)[nH]c12.
What is the InChIKey of 3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide?
The InChIKey is UZKJBFDYHRNRDN-UTKZUKDTSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-12-3-2-4-15-16(9-10-18(28)25-21-17(27)11-24-22(21)29)20(26-19(12)15)13-5-7-14(23)8-6-13/h2-8,17,21,26-27H,9-11H2,1H3,(H,24,29)(H,25,28)/t17-,21+/m1/s1.
What are the key properties of 3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide?
3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide has a molecular weight of 395.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]-N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 153007505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).