N-[2-(6-chloro-5-ethoxy-1-ethyl-7-fluoroindol-3-yl)ethyl]acetamide

C16H20ClFN2O2 — CID 67673380

IUPACN-[2-(6-chloro-5-ethoxy-1-ethyl-7-fluoroindol-3-yl)ethyl]acetamide
SMILESCCOc1cc2c(CCNC(C)=O)cn(CC)c2c(F)c1Cl
InChIInChI=1S/C16H20ClFN2O2/c1-4-20-9-11(6-7-19-10(3)21)12-8-13(22-5-2)14(17)15(18)16(12)20/h8-9H,4-7H2,1-3H3,(H,19,21)
InChIKeyOHSHFUDRTUDUDQ-UHFFFAOYSA-N
MW326.80 g/mol
LogP3.53
Rot. Bonds6

About N-[2-(6-chloro-5-ethoxy-1-ethyl-7-fluoroindol-3-yl)ethyl]acetamide

N-[2-(6-chloro-5-ethoxy-1-ethyl-7-fluoroindol-3-yl)ethyl]acetamide (PubChem CID 67673380) has the molecular formula C16H20ClFN2O2 and a molecular weight of 326.80 g/mol. Its IUPAC name is N-[2-(6-chloro-5-ethoxy-1-ethyl-7-fluoroindol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-chloro-5-ethoxy-1-ethyl-7-fluoroindol-3-yl)ethyl]acetamide
PubChem CID67673380
Molecular FormulaC16H20ClFN2O2
Molecular Weight326.80 g/mol
Exact Mass326.12
IUPAC NameN-[2-(6-chloro-5-ethoxy-1-ethyl-7-fluoroindol-3-yl)ethyl]acetamide
SMILESCCOc1cc2c(CCNC(C)=O)cn(CC)c2c(F)c1Cl
InChIInChI=1S/C16H20ClFN2O2/c1-4-20-9-11(6-7-19-10(3)21)12-8-13(22-5-2)14(17)15(18)16(12)20/h8-9H,4-7H2,1-3H3,(H,19,21)
InChIKeyOHSHFUDRTUDUDQ-UHFFFAOYSA-N
XLogP3.53
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-5-ethoxy-1-ethyl-7-fluoroindol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(6-chloro-5-ethoxy-1-ethyl-7-fluoroindol-3-yl)ethyl]acetamide (CID 67673380) is N-[2-(6-chloro-5-ethoxy-1-ethyl-7-fluoroindol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(6-chloro-5-ethoxy-1-ethyl-7-fluoroindol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(6-chloro-5-ethoxy-1-ethyl-7-fluoroindol-3-yl)ethyl]acetamide is CCOc1cc2c(CCNC(C)=O)cn(CC)c2c(F)c1Cl.
What is the InChIKey of N-[2-(6-chloro-5-ethoxy-1-ethyl-7-fluoroindol-3-yl)ethyl]acetamide?
The InChIKey is OHSHFUDRTUDUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O2/c1-4-20-9-11(6-7-19-10(3)21)12-8-13(22-5-2)14(17)15(18)16(12)20/h8-9H,4-7H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(6-chloro-5-ethoxy-1-ethyl-7-fluoroindol-3-yl)ethyl]acetamide?
N-[2-(6-chloro-5-ethoxy-1-ethyl-7-fluoroindol-3-yl)ethyl]acetamide has a molecular weight of 326.80 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-5-ethoxy-1-ethyl-7-fluoroindol-3-yl)ethyl]acetamide is sourced from PubChem (CID 67673380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).