2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide

C13H16ClN3O2 — CID 106235822

IUPAC2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C13H16ClN3O2/c14-13-9-3-1-2-4-10(9)17-11(13)7-16-5-6-19-8-12(15)18/h1-4,16-17H,5-8H2,(H2,15,18)
InChIKeyCCQKPJZWRVVPHW-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.41
Rot. Bonds7

About 2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide

2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide (PubChem CID 106235822) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide
PubChem CID106235822
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide
SMILESNC(=O)COCCNCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C13H16ClN3O2/c14-13-9-3-1-2-4-10(9)17-11(13)7-16-5-6-19-8-12(15)18/h1-4,16-17H,5-8H2,(H2,15,18)
InChIKeyCCQKPJZWRVVPHW-UHFFFAOYSA-N
XLogP1.41
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethyl]-N-methylcarbamate
CID 107245125
N-[(3-chloro-1H-indol-2-yl)methyl]pent-4-yn-1-amine
CID 114159971
N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681357
2-[(3-chloro-1H-indol-2-yl)methylamino]-N-ethylethanesulfonamide
CID 106334546
N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040713
2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide
CID 114162125
2-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]-1-benzofuran-3-carboxylic acid
CID 106238438
2-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethoxy]acetamide
CID 114162139
N-[(3-chloro-1H-indol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106394904
2-[2-(2-phenylsulfanylethylamino)ethoxy]acetamide
CID 114162393
2-[2-[(3-bromo-4-chlorophenyl)methylamino]ethoxy]acetamide
CID 114162017
2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide
CID 106238176

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide (CID 106235822) is 2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide is NC(=O)COCCNCc1[nH]c2ccccc2c1Cl.
What is the InChIKey of 2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide?
The InChIKey is CCQKPJZWRVVPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-13-9-3-1-2-4-10(9)17-11(13)7-16-5-6-19-8-12(15)18/h1-4,16-17H,5-8H2,(H2,15,18).
What are the key properties of 2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide?
2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide has a molecular weight of 281.74 g/mol, XLogP of 1.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106235822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).