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

C22H22ClN3O2 — CID 96998716

IUPAC(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1=O
InChIInChI=1S/C22H22ClN3O2/c1-26-13-14(10-21(26)27)22(28)25-12-17(15-6-2-4-8-19(15)23)18-11-24-20-9-5-3-7-16(18)20/h2-9,11,14,17,24H,10,12-13H2,1H3,(H,25,28)/t14-,17+/m1/s1
InChIKeyGZQLCXKGMSDGTR-PBHICJAKSA-N
MW395.89 g/mol
LogP3.55
Rot. Bonds5

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

(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 96998716) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is (3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID96998716
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1C[C@H](C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1=O
InChIInChI=1S/C22H22ClN3O2/c1-26-13-14(10-21(26)27)22(28)25-12-17(15-6-2-4-8-19(15)23)18-11-24-20-9-5-3-7-16(18)20/h2-9,11,14,17,24H,10,12-13H2,1H3,(H,25,28)/t14-,17+/m1/s1
InChIKeyGZQLCXKGMSDGTR-PBHICJAKSA-N
XLogP3.55
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 9425344
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 39972306
(3S)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 9088810
(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 9088811
3-acetyl-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 47080821
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
trans-(1R,2R)-N-[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-nitrocyclopropane-1-carboxamide
CID 98681469
1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43007534
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35680929
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
CID 78802980
(2S)-2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-hydroxybutanamide
CID 166324533
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylbutyl)-4-oxophthalazine-1-carboxamide
CID 2116251

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 96998716) is (3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1C[C@H](C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1=O.
What is the InChIKey of (3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GZQLCXKGMSDGTR-PBHICJAKSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-26-13-14(10-21(26)27)22(28)25-12-17(15-6-2-4-8-19(15)23)18-11-24-20-9-5-3-7-16(18)20/h2-9,11,14,17,24H,10,12-13H2,1H3,(H,25,28)/t14-,17+/m1/s1.
What are the key properties of (3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 96998716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).