(5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone

C20H17ClN2O2 — CID 95863161

IUPAC(5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone
SMILESO=C(c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)N1CC=C[C@H]1CO
InChIInChI=1S/C20H17ClN2O2/c21-14-8-9-17-16(11-14)18(13-5-2-1-3-6-13)19(22-17)20(25)23-10-4-7-15(23)12-24/h1-9,11,15,22,24H,10,12H2/t15-/m0/s1
InChIKeyHRIXXPPDHNCBLR-HNNXBMFYSA-N
MW352.82 g/mol
LogP3.86
Rot. Bonds3

About (5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone

(5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 95863161) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is (5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone
PubChem CID95863161
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name(5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone
SMILESO=C(c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)N1CC=C[C@H]1CO
InChIInChI=1S/C20H17ClN2O2/c21-14-8-9-17-16(11-14)18(13-5-2-1-3-6-13)19(22-17)20(25)23-10-4-7-15(23)12-24/h1-9,11,15,22,24H,10,12H2/t15-/m0/s1
InChIKeyHRIXXPPDHNCBLR-HNNXBMFYSA-N
XLogP3.86
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of (5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone (CID 95863161) is (5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for (5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for (5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone is O=C(c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)N1CC=C[C@H]1CO.
What is the InChIKey of (5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is HRIXXPPDHNCBLR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-14-8-9-17-16(11-14)18(13-5-2-1-3-6-13)19(22-17)20(25)23-10-4-7-15(23)12-24/h1-9,11,15,22,24H,10,12H2/t15-/m0/s1.
What are the key properties of (5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone?
(5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 352.82 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-phenyl-1H-indol-2-yl)-[(2S)-2-(hydroxymethyl)-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 95863161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).