N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-(oxetan-3-yl)acetamide;ethane

C17H23ClN2O2 — CID 171517815

IUPACN-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-(oxetan-3-yl)acetamide;ethane
SMILESCC.Cc1cc2[nH]c(CNC(=O)CC3COC3)cc2cc1Cl
InChIInChI=1S/C15H17ClN2O2.C2H6/c1-9-2-14-11(5-13(9)16)4-12(18-14)6-17-15(19)3-10-7-20-8-10;1-2/h2,4-5,10,18H,3,6-8H2,1H3,(H,17,19);1-2H3
InChIKeyBIGXZUIHAKDLIB-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.81
Rot. Bonds4

About N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-(oxetan-3-yl)acetamide;ethane

N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-(oxetan-3-yl)acetamide;ethane (PubChem CID 171517815) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-(oxetan-3-yl)acetamide;ethane.

Molecular Properties

Compound NameN-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-(oxetan-3-yl)acetamide;ethane
PubChem CID171517815
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC NameN-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-(oxetan-3-yl)acetamide;ethane
SMILESCC.Cc1cc2[nH]c(CNC(=O)CC3COC3)cc2cc1Cl
InChIInChI=1S/C15H17ClN2O2.C2H6/c1-9-2-14-11(5-13(9)16)4-12(18-14)6-17-15(19)3-10-7-20-8-10;1-2/h2,4-5,10,18H,3,6-8H2,1H3,(H,17,19);1-2H3
InChIKeyBIGXZUIHAKDLIB-UHFFFAOYSA-N
XLogP3.81
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-(oxetan-3-yl)acetamide;ethane?
The IUPAC name of N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-(oxetan-3-yl)acetamide;ethane (CID 171517815) is N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-(oxetan-3-yl)acetamide;ethane.
What is the SMILES notation for N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-(oxetan-3-yl)acetamide;ethane?
The canonical SMILES for N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-(oxetan-3-yl)acetamide;ethane is CC.Cc1cc2[nH]c(CNC(=O)CC3COC3)cc2cc1Cl.
What is the InChIKey of N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-(oxetan-3-yl)acetamide;ethane?
The InChIKey is BIGXZUIHAKDLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2.C2H6/c1-9-2-14-11(5-13(9)16)4-12(18-14)6-17-15(19)3-10-7-20-8-10;1-2/h2,4-5,10,18H,3,6-8H2,1H3,(H,17,19);1-2H3.
What are the key properties of N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-(oxetan-3-yl)acetamide;ethane?
N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-(oxetan-3-yl)acetamide;ethane has a molecular weight of 322.84 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-(oxetan-3-yl)acetamide;ethane is sourced from PubChem (CID 171517815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).