3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide

C20H23ClN2O2 — CID 129373696

IUPAC3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide
SMILESCN1CCc2cc([C@H](O)CNC(=O)CCc3cccc(Cl)c3)ccc21
InChIInChI=1S/C20H23ClN2O2/c1-23-10-9-15-12-16(6-7-18(15)23)19(24)13-22-20(25)8-5-14-3-2-4-17(21)11-14/h2-4,6-7,11-12,19,24H,5,8-10,13H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyWIPRKIUTVGWASU-LJQANCHMSA-N
MW358.87 g/mol
LogP3.11
Rot. Bonds6

About 3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide

3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide (PubChem CID 129373696) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide
PubChem CID129373696
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide
SMILESCN1CCc2cc([C@H](O)CNC(=O)CCc3cccc(Cl)c3)ccc21
InChIInChI=1S/C20H23ClN2O2/c1-23-10-9-15-12-16(6-7-18(15)23)19(24)13-22-20(25)8-5-14-3-2-4-17(21)11-14/h2-4,6-7,11-12,19,24H,5,8-10,13H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyWIPRKIUTVGWASU-LJQANCHMSA-N
XLogP3.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-phenylpropanamide
CID 90582153
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 90582216
3-(2-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide
CID 129373702
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-methylpropanamide
CID 90582111
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]acetamide
CID 90582324
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 90582123
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 90582281
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2-(3-methoxyphenoxy)acetamide
CID 90582229
N'-(4-chlorophenyl)-N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]oxamide
CID 90582509
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 90582117
N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 129373617
N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 30575519

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide (CID 129373696) is 3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide is CN1CCc2cc([C@H](O)CNC(=O)CCc3cccc(Cl)c3)ccc21.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide?
The InChIKey is WIPRKIUTVGWASU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-23-10-9-15-12-16(6-7-18(15)23)19(24)13-22-20(25)8-5-14-3-2-4-17(21)11-14/h2-4,6-7,11-12,19,24H,5,8-10,13H2,1H3,(H,22,25)/t19-/m1/s1.
What are the key properties of 3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide?
3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide has a molecular weight of 358.87 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propanamide is sourced from PubChem (CID 129373696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).