2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide

C19H26ClN3O — CID 51505165

IUPAC2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC[C@H](CN1CCCC1)NC(=O)Cc1c(C)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H26ClN3O/c1-3-15(12-23-8-4-5-9-23)22-19(24)11-16-13(2)21-18-7-6-14(20)10-17(16)18/h6-7,10,15,21H,3-5,8-9,11-12H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyUAXNSKKEXMKKNJ-OAHLLOKOSA-N
MW347.89 g/mol
LogP3.66
Rot. Bonds6

About 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide

2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide (PubChem CID 51505165) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
PubChem CID51505165
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC Name2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
SMILESCC[C@H](CN1CCCC1)NC(=O)Cc1c(C)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C19H26ClN3O/c1-3-15(12-23-8-4-5-9-23)22-19(24)11-16-13(2)21-18-7-6-14(20)10-17(16)18/h6-7,10,15,21H,3-5,8-9,11-12H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyUAXNSKKEXMKKNJ-OAHLLOKOSA-N
XLogP3.66
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505044
2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide
CID 16673953
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2S)-1-morpholin-4-ylbutan-2-yl]acetamide
CID 51593800
2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide
CID 92586025
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(5-chloro-2-methylphenyl)acetamide
CID 113212020
2-hydroxypropane-1,2,3-tricarboxylic acid;N-(1-pyrrolidin-1-ylbutan-2-yl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 118747336
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 113085985
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109478715
2-(5-chloro-2-methyl-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 113211930
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-(3,4-difluorophenyl)acetamide
CID 113212078
2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505096
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505108

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide (CID 51505165) is 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide is CC[C@H](CN1CCCC1)NC(=O)Cc1c(C)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
The InChIKey is UAXNSKKEXMKKNJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-3-15(12-23-8-4-5-9-23)22-19(24)11-16-13(2)21-18-7-6-14(20)10-17(16)18/h6-7,10,15,21H,3-5,8-9,11-12H2,1-2H3,(H,22,24)/t15-/m1/s1.
What are the key properties of 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide?
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide has a molecular weight of 347.89 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 51505165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).