(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'}

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Related Compounds

(5-chloro-3-phenyl-1H-indol-2-yl)-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]methanone;hydrochloride
CID 154893872
4-(5-chloro-3-phenyl-1H-indole-2-carbonyl)-1,4-diazepan-2-one
CID 56914150
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-3-phenyl-1H-indole-2-carboxamide
CID 91094574
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CID 56882195
5-chloro-N-(2-oxopiperidin-3-yl)-3-phenyl-1H-indole-2-carboxamide
CID 70764541
5-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-phenyl-1H-indole-2-carboxamide
CID 131932809
5-chloro-6-fluoro-3-phenyl-1H-indole-2-carboxamide
CID 162652710
3-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]propanoic acid
CID 4157880
5,7-dichloro-3-phenyl-1H-indole-2-carboxylic acid
CID 94830117
5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole
CID 1472079
6-chloro-4-phenyl-3-pyrrolidin-1-yl-1H-quinolin-2-one
CID 715752
6-chloro-4-phenyl-3-(3-pyridin-4-ylpropanoyl)-1H-quinolin-2-one
CID 134257279

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).