N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-ethyloxolane-2-carboxamide;ethane

C19H27ClN2O2 — CID 171519595

IUPACN-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-ethyloxolane-2-carboxamide;ethane
SMILESCC.CCC1(C(=O)NCc2cc3cc(Cl)c(C)cc3[nH]2)CCCO1
InChIInChI=1S/C17H21ClN2O2.C2H6/c1-3-17(5-4-6-22-17)16(21)19-10-13-8-12-9-14(18)11(2)7-15(12)20-13;1-2/h7-9,20H,3-6,10H2,1-2H3,(H,19,21);1-2H3
InChIKeyFYDJTEVWYQFAJB-UHFFFAOYSA-N
MW350.89 g/mol
LogP4.73
Rot. Bonds4

About N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-ethyloxolane-2-carboxamide;ethane

N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-ethyloxolane-2-carboxamide;ethane (PubChem CID 171519595) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-ethyloxolane-2-carboxamide;ethane.

Molecular Properties

Compound NameN-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-ethyloxolane-2-carboxamide;ethane
PubChem CID171519595
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC NameN-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-ethyloxolane-2-carboxamide;ethane
SMILESCC.CCC1(C(=O)NCc2cc3cc(Cl)c(C)cc3[nH]2)CCCO1
InChIInChI=1S/C17H21ClN2O2.C2H6/c1-3-17(5-4-6-22-17)16(21)19-10-13-8-12-9-14(18)11(2)7-15(12)20-13;1-2/h7-9,20H,3-6,10H2,1-2H3,(H,19,21);1-2H3
InChIKeyFYDJTEVWYQFAJB-UHFFFAOYSA-N
XLogP4.73
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-methyloxetane-2-carboxamide
CID 174324497
N-[[5-chloro-6-[[(2S)-1,4-dioxan-2-yl]methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519743
N-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethenyl]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 174242736
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-oxabicyclo[2.1.1]hexane-1-carboxamide
CID 171731786
N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518927
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 171731918
1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea
CID 177338113
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane
CID 171519771
N-[[5-chloro-6-(2-cyclobutylethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519626
N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 171517886
N-[(5,6-dimethyl-1H-indol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 171518746
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide
CID 171519418

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-ethyloxolane-2-carboxamide;ethane?
The IUPAC name of N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-ethyloxolane-2-carboxamide;ethane (CID 171519595) is N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-ethyloxolane-2-carboxamide;ethane.
What is the SMILES notation for N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-ethyloxolane-2-carboxamide;ethane?
The canonical SMILES for N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-ethyloxolane-2-carboxamide;ethane is CC.CCC1(C(=O)NCc2cc3cc(Cl)c(C)cc3[nH]2)CCCO1.
What is the InChIKey of N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-ethyloxolane-2-carboxamide;ethane?
The InChIKey is FYDJTEVWYQFAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2.C2H6/c1-3-17(5-4-6-22-17)16(21)19-10-13-8-12-9-14(18)11(2)7-15(12)20-13;1-2/h7-9,20H,3-6,10H2,1-2H3,(H,19,21);1-2H3.
What are the key properties of N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-ethyloxolane-2-carboxamide;ethane?
N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-ethyloxolane-2-carboxamide;ethane has a molecular weight of 350.89 g/mol, XLogP of 4.73, 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-ethyloxolane-2-carboxamide;ethane is sourced from PubChem (CID 171519595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).