N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide

C13H15ClN2O2 — CID 1858

IUPACN-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
InChIKeyLUINDDOUWHRIPW-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.51
Rot. Bonds4

About N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide

N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 1858) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID1858
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
InChIKeyLUINDDOUWHRIPW-UHFFFAOYSA-N
XLogP2.51
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 1858) is N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl.
What is the InChIKey of N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is LUINDDOUWHRIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 266.73 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 1858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).