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

C16H19ClN2O2 — CID 174324497

IUPACN-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-methyloxetane-2-carboxamide
SMILESCCc1cc2[nH]c(CNC(=O)C3(C)CCO3)cc2cc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-3-10-8-14-11(7-13(10)17)6-12(19-14)9-18-15(20)16(2)4-5-21-16/h6-8,19H,3-5,9H2,1-2H3,(H,18,20)
InChIKeyJRLITWWVEAVHBS-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.18
Rot. Bonds4

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

N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-methyloxetane-2-carboxamide (PubChem CID 174324497) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-methyloxetane-2-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-methyloxetane-2-carboxamide
PubChem CID174324497
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-methyloxetane-2-carboxamide
SMILESCCc1cc2[nH]c(CNC(=O)C3(C)CCO3)cc2cc1Cl
InChIInChI=1S/C16H19ClN2O2/c1-3-10-8-14-11(7-13(10)17)6-12(19-14)9-18-15(20)16(2)4-5-21-16/h6-8,19H,3-5,9H2,1-2H3,(H,18,20)
InChIKeyJRLITWWVEAVHBS-UHFFFAOYSA-N
XLogP3.18
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.18
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-hydroxybutanamide
CID 171518390
N-[(5-chloro-6-methyl-1H-indol-2-yl)methyl]-2-ethyloxolane-2-carboxamide;ethane
CID 171519595
N-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518864
N-[[6-[(Z)-3-amino-5-oxohex-3-enyl]-5-chloro-1H-indol-2-yl]methyl]-1-methoxycyclopropane-1-carboxamide
CID 177338080
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 171731918
N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518927
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]-2-oxabicyclo[2.1.1]hexane-1-carboxamide
CID 171731786
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-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519678
N-[[5-chloro-6-(1,3-thiazol-4-ylmethylamino)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518941

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-methyloxetane-2-carboxamide?
The IUPAC name of N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-methyloxetane-2-carboxamide (CID 174324497) is N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-methyloxetane-2-carboxamide.
What is the SMILES notation for N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-methyloxetane-2-carboxamide?
The canonical SMILES for N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-methyloxetane-2-carboxamide is CCc1cc2[nH]c(CNC(=O)C3(C)CCO3)cc2cc1Cl.
What is the InChIKey of N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-methyloxetane-2-carboxamide?
The InChIKey is JRLITWWVEAVHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-3-10-8-14-11(7-13(10)17)6-12(19-14)9-18-15(20)16(2)4-5-21-16/h6-8,19H,3-5,9H2,1-2H3,(H,18,20).
What are the key properties of N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-methyloxetane-2-carboxamide?
N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-methyloxetane-2-carboxamide has a molecular weight of 306.79 g/mol, XLogP of 3.18, 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-ethyl-1H-indol-2-yl)methyl]-2-methyloxetane-2-carboxamide is sourced from PubChem (CID 174324497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).