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

C19H24ClFN2O3 — CID 67761672

IUPACN-[2-(2-acetyl-6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)butyl]acetamide
SMILESCCC(CNC(C)=O)c1c(C(C)=O)[nH]c2c(F)c(Cl)c(OC(C)C)cc12
InChIInChI=1S/C19H24ClFN2O3/c1-6-12(8-22-11(5)25)15-13-7-14(26-9(2)3)16(20)17(21)19(13)23-18(15)10(4)24/h7,9,12,23H,6,8H2,1-5H3,(H,22,25)
InChIKeyLKXLBMDGUAVVLR-UHFFFAOYSA-N
MW382.86 g/mol
LogP4.58
Rot. Bonds7

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

N-[2-(2-acetyl-6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)butyl]acetamide (PubChem CID 67761672) has the molecular formula C19H24ClFN2O3 and a molecular weight of 382.86 g/mol. Its IUPAC name is N-[2-(2-acetyl-6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-acetyl-6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)butyl]acetamide
PubChem CID67761672
Molecular FormulaC19H24ClFN2O3
Molecular Weight382.86 g/mol
Exact Mass382.15
IUPAC NameN-[2-(2-acetyl-6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)butyl]acetamide
SMILESCCC(CNC(C)=O)c1c(C(C)=O)[nH]c2c(F)c(Cl)c(OC(C)C)cc12
InChIInChI=1S/C19H24ClFN2O3/c1-6-12(8-22-11(5)25)15-13-7-14(26-9(2)3)16(20)17(21)19(13)23-18(15)10(4)24/h7,9,12,23H,6,8H2,1-5H3,(H,22,25)
InChIKeyLKXLBMDGUAVVLR-UHFFFAOYSA-N
XLogP4.58
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-acetyl-6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)butyl]acetamide?
The IUPAC name of N-[2-(2-acetyl-6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)butyl]acetamide (CID 67761672) is N-[2-(2-acetyl-6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)butyl]acetamide.
What is the SMILES notation for N-[2-(2-acetyl-6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)butyl]acetamide?
The canonical SMILES for N-[2-(2-acetyl-6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)butyl]acetamide is CCC(CNC(C)=O)c1c(C(C)=O)[nH]c2c(F)c(Cl)c(OC(C)C)cc12.
What is the InChIKey of N-[2-(2-acetyl-6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)butyl]acetamide?
The InChIKey is LKXLBMDGUAVVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN2O3/c1-6-12(8-22-11(5)25)15-13-7-14(26-9(2)3)16(20)17(21)19(13)23-18(15)10(4)24/h7,9,12,23H,6,8H2,1-5H3,(H,22,25).
What are the key properties of N-[2-(2-acetyl-6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)butyl]acetamide?
N-[2-(2-acetyl-6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)butyl]acetamide has a molecular weight of 382.86 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-acetyl-6-chloro-7-fluoro-5-propan-2-yloxy-1H-indol-3-yl)butyl]acetamide is sourced from PubChem (CID 67761672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).