2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone

C21H19ClN2O2 — CID 166692220

IUPAC2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone
SMILESO=C(CN1CCC[C@@H]1C(=O)c1c[nH]c2cccc(Cl)c12)c1ccccc1
InChIInChI=1S/C21H19ClN2O2/c22-16-8-4-9-17-20(16)15(12-23-17)21(26)18-10-5-11-24(18)13-19(25)14-6-2-1-3-7-14/h1-4,6-9,12,18,23H,5,10-11,13H2/t18-/m1/s1
InChIKeyWDYBMOKUEGCLBC-GOSISDBHSA-N
MW366.85 g/mol
LogP4.35
Rot. Bonds5

About 2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone

2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone (PubChem CID 166692220) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone
PubChem CID166692220
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone
SMILESO=C(CN1CCC[C@@H]1C(=O)c1c[nH]c2cccc(Cl)c12)c1ccccc1
InChIInChI=1S/C21H19ClN2O2/c22-16-8-4-9-17-20(16)15(12-23-17)21(26)18-10-5-11-24(18)13-19(25)14-6-2-1-3-7-14/h1-4,6-9,12,18,23H,5,10-11,13H2/t18-/m1/s1
InChIKeyWDYBMOKUEGCLBC-GOSISDBHSA-N
XLogP4.35
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
1-phenacylpiperidine-2-carboxamide
CID 60681003
1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162533
[2-(4-methoxy-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate
CID 169244455
[(2S)-2-(4-phenylmethoxy-1H-indole-3-carbonyl)pyrrolidin-1-yl] benzoate
CID 156821019
(2S)-1-phenacylpyrrolidine-2-carboximidamide
CID 58516261
(4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176610
benzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
CID 166943797
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-phenylethanone
CID 65319775
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485
N-hydroxy-3-[4-[[(2S)-2-(1H-indole-3-carbonyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enamide
CID 123770791
1-[2-(4-methylphenyl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 16770156

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone?
The IUPAC name of 2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone (CID 166692220) is 2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone is O=C(CN1CCC[C@@H]1C(=O)c1c[nH]c2cccc(Cl)c12)c1ccccc1.
What is the InChIKey of 2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone?
The InChIKey is WDYBMOKUEGCLBC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-16-8-4-9-17-20(16)15(12-23-17)21(26)18-10-5-11-24(18)13-19(25)14-6-2-1-3-7-14/h1-4,6-9,12,18,23H,5,10-11,13H2/t18-/m1/s1.
What are the key properties of 2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone?
2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone has a molecular weight of 366.85 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone is sourced from PubChem (CID 166692220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).