(2S,4R)-1-benzyl-N-tert-butyl-4-(5-fluoro-1H-indol-3-yl)-5-oxopyrrolidine-2-carboxamide

C24H26FN3O2 — CID 56648327

IUPAC(2S,4R)-1-benzyl-N-tert-butyl-4-(5-fluoro-1H-indol-3-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H]1C[C@H](c2c[nH]c3ccc(F)cc23)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H26FN3O2/c1-24(2,3)27-22(29)21-12-18(19-13-26-20-10-9-16(25)11-17(19)20)23(30)28(21)14-15-7-5-4-6-8-15/h4-11,13,18,21,26H,12,14H2,1-3H3,(H,27,29)/t18-,21+/m1/s1
InChIKeyRGYDNOLHEDMKDF-NQIIRXRSSA-N
MW407.49 g/mol
LogP4.11
Rot. Bonds4

About (2S,4R)-1-benzyl-N-tert-butyl-4-(5-fluoro-1H-indol-3-yl)-5-oxopyrrolidine-2-carboxamide

(2S,4R)-1-benzyl-N-tert-butyl-4-(5-fluoro-1H-indol-3-yl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 56648327) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is (2S,4R)-1-benzyl-N-tert-butyl-4-(5-fluoro-1H-indol-3-yl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-benzyl-N-tert-butyl-4-(5-fluoro-1H-indol-3-yl)-5-oxopyrrolidine-2-carboxamide
PubChem CID56648327
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name(2S,4R)-1-benzyl-N-tert-butyl-4-(5-fluoro-1H-indol-3-yl)-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H]1C[C@H](c2c[nH]c3ccc(F)cc23)C(=O)N1Cc1ccccc1
InChIInChI=1S/C24H26FN3O2/c1-24(2,3)27-22(29)21-12-18(19-13-26-20-10-9-16(25)11-17(19)20)23(30)28(21)14-15-7-5-4-6-8-15/h4-11,13,18,21,26H,12,14H2,1-3H3,(H,27,29)/t18-,21+/m1/s1
InChIKeyRGYDNOLHEDMKDF-NQIIRXRSSA-N
XLogP4.11
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,4R)-1-benzyl-N-tert-butyl-4-(5-fluoro-1H-indol-3-yl)-5-oxopyrrolidine-2-carboxamide with MolForge

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Related Compounds

3-(5-fluoro-1H-indol-3-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 24887100
2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one
CID 162402410
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087416
methyl 5-(1-benzyl-2,5-dioxopyrrolidin-3-yl)-1H-indole-3-carboxylate
CID 67530601
tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
CID 22714417
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113087415
2-[benzyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]amino]ethyl N-tert-butylcarbamate
CID 174634033
N-tert-butyl-2-[(5-fluoro-2-phenylphenyl)methyl]-3-oxo-1H-isoindole-1-carboxamide
CID 68770301
(3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one
CID 10518687
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 113087417
(5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one
CID 101487876
1-benzyl-N-tert-butyl-5-oxo-3-(4-phenylphenyl)-2H-pyrrole-2-carboxamide
CID 11774592

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-benzyl-N-tert-butyl-4-(5-fluoro-1H-indol-3-yl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-benzyl-N-tert-butyl-4-(5-fluoro-1H-indol-3-yl)-5-oxopyrrolidine-2-carboxamide (CID 56648327) is (2S,4R)-1-benzyl-N-tert-butyl-4-(5-fluoro-1H-indol-3-yl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-benzyl-N-tert-butyl-4-(5-fluoro-1H-indol-3-yl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-benzyl-N-tert-butyl-4-(5-fluoro-1H-indol-3-yl)-5-oxopyrrolidine-2-carboxamide is CC(C)(C)NC(=O)[C@@H]1C[C@H](c2c[nH]c3ccc(F)cc23)C(=O)N1Cc1ccccc1.
What is the InChIKey of (2S,4R)-1-benzyl-N-tert-butyl-4-(5-fluoro-1H-indol-3-yl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is RGYDNOLHEDMKDF-NQIIRXRSSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-24(2,3)27-22(29)21-12-18(19-13-26-20-10-9-16(25)11-17(19)20)23(30)28(21)14-15-7-5-4-6-8-15/h4-11,13,18,21,26H,12,14H2,1-3H3,(H,27,29)/t18-,21+/m1/s1.
What are the key properties of (2S,4R)-1-benzyl-N-tert-butyl-4-(5-fluoro-1H-indol-3-yl)-5-oxopyrrolidine-2-carboxamide?
(2S,4R)-1-benzyl-N-tert-butyl-4-(5-fluoro-1H-indol-3-yl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 407.49 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-benzyl-N-tert-butyl-4-(5-fluoro-1H-indol-3-yl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 56648327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).