4-chloro-N-(2-ethoxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide

C17H21ClN2O3 — CID 121406328

IUPAC4-chloro-N-(2-ethoxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide
SMILESCCOC(C)CNC(=O)c1cn(C2COC2)c2cccc(Cl)c12
InChIInChI=1S/C17H21ClN2O3/c1-3-23-11(2)7-19-17(21)13-8-20(12-9-22-10-12)15-6-4-5-14(18)16(13)15/h4-6,8,11-12H,3,7,9-10H2,1-2H3,(H,19,21)
InChIKeyOYIXCRSQYWPBDP-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.02
Rot. Bonds6

About 4-chloro-N-(2-ethoxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide

4-chloro-N-(2-ethoxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide (PubChem CID 121406328) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 4-chloro-N-(2-ethoxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-ethoxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide
PubChem CID121406328
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name4-chloro-N-(2-ethoxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide
SMILESCCOC(C)CNC(=O)c1cn(C2COC2)c2cccc(Cl)c12
InChIInChI=1S/C17H21ClN2O3/c1-3-23-11(2)7-19-17(21)13-8-20(12-9-22-10-12)15-6-4-5-14(18)16(13)15/h4-6,8,11-12H,3,7,9-10H2,1-2H3,(H,19,21)
InChIKeyOYIXCRSQYWPBDP-UHFFFAOYSA-N
XLogP3.02
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethoxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-ethoxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide (CID 121406328) is 4-chloro-N-(2-ethoxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-ethoxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-ethoxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide is CCOC(C)CNC(=O)c1cn(C2COC2)c2cccc(Cl)c12.
What is the InChIKey of 4-chloro-N-(2-ethoxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide?
The InChIKey is OYIXCRSQYWPBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-3-23-11(2)7-19-17(21)13-8-20(12-9-22-10-12)15-6-4-5-14(18)16(13)15/h4-6,8,11-12H,3,7,9-10H2,1-2H3,(H,19,21).
What are the key properties of 4-chloro-N-(2-ethoxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide?
4-chloro-N-(2-ethoxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide has a molecular weight of 336.82 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethoxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide is sourced from PubChem (CID 121406328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).