N-[2-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)butyl]acetamide

C16H20ClFN2O2 — CID 21263161

IUPACN-[2-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)butyl]acetamide
SMILESCCOc1cc2c(C(CC)CNC(C)=O)c[nH]c2c(F)c1Cl
InChIInChI=1S/C16H20ClFN2O2/c1-4-10(7-19-9(3)21)12-8-20-16-11(12)6-13(22-5-2)14(17)15(16)18/h6,8,10,20H,4-5,7H2,1-3H3,(H,19,21)
InChIKeyVSOYTPYXAOUJHD-UHFFFAOYSA-N
MW326.80 g/mol
LogP3.99
Rot. Bonds6

About N-[2-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)butyl]acetamide

N-[2-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)butyl]acetamide (PubChem CID 21263161) has the molecular formula C16H20ClFN2O2 and a molecular weight of 326.80 g/mol. Its IUPAC name is N-[2-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)butyl]acetamide
PubChem CID21263161
Molecular FormulaC16H20ClFN2O2
Molecular Weight326.80 g/mol
Exact Mass326.12
IUPAC NameN-[2-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)butyl]acetamide
SMILESCCOc1cc2c(C(CC)CNC(C)=O)c[nH]c2c(F)c1Cl
InChIInChI=1S/C16H20ClFN2O2/c1-4-10(7-19-9(3)21)12-8-20-16-11(12)6-13(22-5-2)14(17)15(16)18/h6,8,10,20H,4-5,7H2,1-3H3,(H,19,21)
InChIKeyVSOYTPYXAOUJHD-UHFFFAOYSA-N
XLogP3.99
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.80
LogP ≤ 53.99
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-ethoxy-7-fluoro-1H-indol-3-yl)butyl]acetamide?
The IUPAC name of N-[2-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)butyl]acetamide (CID 21263161) is N-[2-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)butyl]acetamide.
What is the SMILES notation for N-[2-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)butyl]acetamide?
The canonical SMILES for N-[2-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)butyl]acetamide is CCOc1cc2c(C(CC)CNC(C)=O)c[nH]c2c(F)c1Cl.
What is the InChIKey of N-[2-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)butyl]acetamide?
The InChIKey is VSOYTPYXAOUJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O2/c1-4-10(7-19-9(3)21)12-8-20-16-11(12)6-13(22-5-2)14(17)15(16)18/h6,8,10,20H,4-5,7H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)butyl]acetamide?
N-[2-(6-chloro-5-ethoxy-7-fluoro-1H-indol-3-yl)butyl]acetamide has a molecular weight of 326.80 g/mol, XLogP of 3.99, 6 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-ethoxy-7-fluoro-1H-indol-3-yl)butyl]acetamide is sourced from PubChem (CID 21263161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).