N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

C20H25ClN2O2 — CID 171519626

IUPACN-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(Cl)c(OCCC4CCC4)cc3[nH]2)CC1
InChIInChI=1S/C20H25ClN2O2/c1-20(6-7-20)19(24)22-12-15-9-14-10-16(21)18(11-17(14)23-15)25-8-5-13-3-2-4-13/h9-11,13,23H,2-8,12H2,1H3,(H,22,24)
InChIKeyHASCLDHKOHDIFO-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.81
Rot. Bonds7

About N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 171519626) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID171519626
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(Cl)c(OCCC4CCC4)cc3[nH]2)CC1
InChIInChI=1S/C20H25ClN2O2/c1-20(6-7-20)19(24)22-12-15-9-14-10-16(21)18(11-17(14)23-15)25-8-5-13-3-2-4-13/h9-11,13,23H,2-8,12H2,1H3,(H,22,24)
InChIKeyHASCLDHKOHDIFO-UHFFFAOYSA-N
XLogP4.81
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.81
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-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (CID 171519626) is N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCc2cc3cc(Cl)c(OCCC4CCC4)cc3[nH]2)CC1.
What is the InChIKey of N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is HASCLDHKOHDIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-20(6-7-20)19(24)22-12-15-9-14-10-16(21)18(11-17(14)23-15)25-8-5-13-3-2-4-13/h9-11,13,23H,2-8,12H2,1H3,(H,22,24).
What are the key properties of N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 171519626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).