(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C22H22FN3O3 — CID 95098297

About (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95098297) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 95098297
• Molecular Formula: C22H22FN3O3
• Molecular Weight: 395.43 g/mol
• Exact Mass: 395.16
• IUPAC Name: (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: CC(=O)N1CCc2cc(N3C[C@H](C(=O)NCc4cccc(F)c4)CC3=O)ccc21
• InChI: InChI=1S/C22H22FN3O3/c1-14(27)25-8-7-16-10-19(5-6-20(16)25)26-13-17(11-21(26)28)22(29)24-12-15-3-2-4-18(23)9-15/h2-6,9-10,17H,7-8,11-13H2,1H3,(H,24,29)/t17-/m1/s1
• InChIKey: JVMXGMXUMXZNGS-QGZVFWFLSA-N
• XLogP: 2.40
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.43
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 95098297) is (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CC(=O)N1CCc2cc(N3C[C@H](C(=O)NCc4cccc(F)c4)CC3=O)ccc21.

What is the InChIKey of (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is JVMXGMXUMXZNGS-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-14(27)25-8-7-16-10-19(5-6-20(16)25)26-13-17(11-21(26)28)22(29)24-12-15-3-2-4-18(23)9-15/h2-6,9-10,17H,7-8,11-13H2,1H3,(H,24,29)/t17-/m1/s1.

What are the key properties of (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?

(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(3-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95098297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).