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

C20H25ClN2O3 — CID 121406306

IUPAC4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide
SMILESCC(O)(CNC(=O)c1cn(C2COC2)c2cccc(Cl)c12)C1CCCC1
InChIInChI=1S/C20H25ClN2O3/c1-20(25,13-5-2-3-6-13)12-22-19(24)15-9-23(14-10-26-11-14)17-8-4-7-16(21)18(15)17/h4,7-9,13-14,25H,2-3,5-6,10-12H2,1H3,(H,22,24)
InChIKeyTXJAUBICZHCJBE-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.54
Rot. Bonds5

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

4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide (PubChem CID 121406306) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide
PubChem CID121406306
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide
SMILESCC(O)(CNC(=O)c1cn(C2COC2)c2cccc(Cl)c12)C1CCCC1
InChIInChI=1S/C20H25ClN2O3/c1-20(25,13-5-2-3-6-13)12-22-19(24)15-9-23(14-10-26-11-14)17-8-4-7-16(21)18(15)17/h4,7-9,13-14,25H,2-3,5-6,10-12H2,1H3,(H,22,24)
InChIKeyTXJAUBICZHCJBE-UHFFFAOYSA-N
XLogP3.54
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide (CID 121406306) is 4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide is CC(O)(CNC(=O)c1cn(C2COC2)c2cccc(Cl)c12)C1CCCC1.
What is the InChIKey of 4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide?
The InChIKey is TXJAUBICZHCJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-20(25,13-5-2-3-6-13)12-22-19(24)15-9-23(14-10-26-11-14)17-8-4-7-16(21)18(15)17/h4,7-9,13-14,25H,2-3,5-6,10-12H2,1H3,(H,22,24).
What are the key properties of 4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide?
4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide has a molecular weight of 376.88 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyclopentyl-2-hydroxypropyl)-1-(oxetan-3-yl)indole-3-carboxamide is sourced from PubChem (CID 121406306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).