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

C14H17ClN2O2 — CID 3047614

IUPACN-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1c[nH]c2cc(Cl)c(OC)cc12
InChIInChI=1S/C14H17ClN2O2/c1-3-14(18)16-5-4-9-8-17-12-7-11(15)13(19-2)6-10(9)12/h6-8,17H,3-5H2,1-2H3,(H,16,18)
InChIKeyXSRWYGZSPYXVPC-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.90
Rot. Bonds5

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

N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide (PubChem CID 3047614) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide
PubChem CID3047614
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1c[nH]c2cc(Cl)c(OC)cc12
InChIInChI=1S/C14H17ClN2O2/c1-3-14(18)16-5-4-9-8-17-12-7-11(15)13(19-2)6-10(9)12/h6-8,17H,3-5H2,1-2H3,(H,16,18)
InChIKeyXSRWYGZSPYXVPC-UHFFFAOYSA-N
XLogP2.90
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.90
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]propanamide?
The IUPAC name of N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide (CID 3047614) is N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide is CCC(=O)NCCc1c[nH]c2cc(Cl)c(OC)cc12.
What is the InChIKey of N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide?
The InChIKey is XSRWYGZSPYXVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-3-14(18)16-5-4-9-8-17-12-7-11(15)13(19-2)6-10(9)12/h6-8,17H,3-5H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide?
N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]propanamide has a molecular weight of 280.75 g/mol, XLogP of 2.90, 5 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]propanamide is sourced from PubChem (CID 3047614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).