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

C14H16ClFN2O2 — CID 21263046

IUPACN-[2-(6-chloro-7-fluoro-5-methoxy-1H-indol-3-yl)propyl]acetamide
SMILESCOc1cc2c(C(C)CNC(C)=O)c[nH]c2c(F)c1Cl
InChIInChI=1S/C14H16ClFN2O2/c1-7(5-17-8(2)19)10-6-18-14-9(10)4-11(20-3)12(15)13(14)16/h4,6-7,18H,5H2,1-3H3,(H,17,19)
InChIKeyAFXWFRAONSOEKX-UHFFFAOYSA-N
MW298.75 g/mol
LogP3.21
Rot. Bonds4

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

N-[2-(6-chloro-7-fluoro-5-methoxy-1H-indol-3-yl)propyl]acetamide (PubChem CID 21263046) has the molecular formula C14H16ClFN2O2 and a molecular weight of 298.75 g/mol. Its IUPAC name is N-[2-(6-chloro-7-fluoro-5-methoxy-1H-indol-3-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[2-(6-chloro-7-fluoro-5-methoxy-1H-indol-3-yl)propyl]acetamide
PubChem CID21263046
Molecular FormulaC14H16ClFN2O2
Molecular Weight298.75 g/mol
Exact Mass298.09
IUPAC NameN-[2-(6-chloro-7-fluoro-5-methoxy-1H-indol-3-yl)propyl]acetamide
SMILESCOc1cc2c(C(C)CNC(C)=O)c[nH]c2c(F)c1Cl
InChIInChI=1S/C14H16ClFN2O2/c1-7(5-17-8(2)19)10-6-18-14-9(10)4-11(20-3)12(15)13(14)16/h4,6-7,18H,5H2,1-3H3,(H,17,19)
InChIKeyAFXWFRAONSOEKX-UHFFFAOYSA-N
XLogP3.21
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 53.21
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-7-fluoro-5-methoxy-1H-indol-3-yl)propyl]acetamide?
The IUPAC name of N-[2-(6-chloro-7-fluoro-5-methoxy-1H-indol-3-yl)propyl]acetamide (CID 21263046) is N-[2-(6-chloro-7-fluoro-5-methoxy-1H-indol-3-yl)propyl]acetamide.
What is the SMILES notation for N-[2-(6-chloro-7-fluoro-5-methoxy-1H-indol-3-yl)propyl]acetamide?
The canonical SMILES for N-[2-(6-chloro-7-fluoro-5-methoxy-1H-indol-3-yl)propyl]acetamide is COc1cc2c(C(C)CNC(C)=O)c[nH]c2c(F)c1Cl.
What is the InChIKey of N-[2-(6-chloro-7-fluoro-5-methoxy-1H-indol-3-yl)propyl]acetamide?
The InChIKey is AFXWFRAONSOEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O2/c1-7(5-17-8(2)19)10-6-18-14-9(10)4-11(20-3)12(15)13(14)16/h4,6-7,18H,5H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(6-chloro-7-fluoro-5-methoxy-1H-indol-3-yl)propyl]acetamide?
N-[2-(6-chloro-7-fluoro-5-methoxy-1H-indol-3-yl)propyl]acetamide has a molecular weight of 298.75 g/mol, XLogP of 3.21, 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-7-fluoro-5-methoxy-1H-indol-3-yl)propyl]acetamide is sourced from PubChem (CID 21263046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).