N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide

C16H20ClN3O — CID 119706636

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H20ClN3O/c17-12-3-4-15-14(8-12)11(10-20-15)5-7-19-16(21)9-13-2-1-6-18-13/h3-4,8,10,13,18,20H,1-2,5-7,9H2,(H,19,21)
InChIKeyRWBQVGCSWRHODG-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.62
Rot. Bonds5

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119706636) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119706636
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C16H20ClN3O/c17-12-3-4-15-14(8-12)11(10-20-15)5-7-19-16(21)9-13-2-1-6-18-13/h3-4,8,10,13,18,20H,1-2,5-7,9H2,(H,19,21)
InChIKeyRWBQVGCSWRHODG-UHFFFAOYSA-N
XLogP2.62
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936135
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 119706622
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea
CID 167978779
N-[2-(2-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371407
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
CID 71994383
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 125434004
2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113209520
N-[2-(6-chloro-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113083858
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide (CID 119706636) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is RWBQVGCSWRHODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c17-12-3-4-15-14(8-12)11(10-20-15)5-7-19-16(21)9-13-2-1-6-18-13/h3-4,8,10,13,18,20H,1-2,5-7,9H2,(H,19,21).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 305.81 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119706636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).