(3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C19H24FN3O2 — CID 42562425

IUPAC(3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1
InChIInChI=1S/C19H24FN3O2/c1-12(2)9-22-19(25)14-7-18(24)23(11-14)6-5-13-10-21-17-4-3-15(20)8-16(13)17/h3-4,8,10,12,14,21H,5-7,9,11H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyFDDXCVLQWJPIOZ-CQSZACIVSA-N
MW345.42 g/mol
LogP2.47
Rot. Bonds6

About (3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 42562425) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID42562425
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1
InChIInChI=1S/C19H24FN3O2/c1-12(2)9-22-19(25)14-7-18(24)23(11-14)6-5-13-10-21-17-4-3-15(20)8-16(13)17/h3-4,8,10,12,14,21H,5-7,9,11H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyFDDXCVLQWJPIOZ-CQSZACIVSA-N
XLogP2.47
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 25247390
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17204464
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113184900
1-ethyl-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 49408553
(3R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92717730
1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 17081606
(3S)-1-[2-(4-fluorophenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 9374348
1-butyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17082685
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 50745087
1-(4-fluorophenyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17310667
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184907
N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 50745085

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 42562425) is (3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CNC(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1.
What is the InChIKey of (3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FDDXCVLQWJPIOZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-12(2)9-22-19(25)14-7-18(24)23(11-14)6-5-13-10-21-17-4-3-15(20)8-16(13)17/h3-4,8,10,12,14,21H,5-7,9,11H2,1-2H3,(H,22,25)/t14-/m1/s1.
What are the key properties of (3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42562425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).