N-(2-amino-2-oxoethyl)-2-(3-bromo-2-methylindol-1-yl)-N-methylacetamide

C14H16BrN3O2 — CID 47414841

IUPACN-(2-amino-2-oxoethyl)-2-(3-bromo-2-methylindol-1-yl)-N-methylacetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)N(C)CC(N)=O
InChIInChI=1S/C14H16BrN3O2/c1-9-14(15)10-5-3-4-6-11(10)18(9)8-13(20)17(2)7-12(16)19/h3-6H,7-8H2,1-2H3,(H2,16,19)
InChIKeyADVGXYBXJFTAAS-UHFFFAOYSA-N
MW338.21 g/mol
LogP1.66
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2-(3-bromo-2-methylindol-1-yl)-N-methylacetamide

N-(2-amino-2-oxoethyl)-2-(3-bromo-2-methylindol-1-yl)-N-methylacetamide (PubChem CID 47414841) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(3-bromo-2-methylindol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(3-bromo-2-methylindol-1-yl)-N-methylacetamide
PubChem CID47414841
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC NameN-(2-amino-2-oxoethyl)-2-(3-bromo-2-methylindol-1-yl)-N-methylacetamide
SMILESCc1c(Br)c2ccccc2n1CC(=O)N(C)CC(N)=O
InChIInChI=1S/C14H16BrN3O2/c1-9-14(15)10-5-3-4-6-11(10)18(9)8-13(20)17(2)7-12(16)19/h3-6H,7-8H2,1-2H3,(H2,16,19)
InChIKeyADVGXYBXJFTAAS-UHFFFAOYSA-N
XLogP1.66
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(3-bromo-2-methylindol-1-yl)-N-methylacetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(3-bromo-2-methylindol-1-yl)-N-methylacetamide (CID 47414841) is N-(2-amino-2-oxoethyl)-2-(3-bromo-2-methylindol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(3-bromo-2-methylindol-1-yl)-N-methylacetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(3-bromo-2-methylindol-1-yl)-N-methylacetamide is Cc1c(Br)c2ccccc2n1CC(=O)N(C)CC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(3-bromo-2-methylindol-1-yl)-N-methylacetamide?
The InChIKey is ADVGXYBXJFTAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-9-14(15)10-5-3-4-6-11(10)18(9)8-13(20)17(2)7-12(16)19/h3-6H,7-8H2,1-2H3,(H2,16,19).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(3-bromo-2-methylindol-1-yl)-N-methylacetamide?
N-(2-amino-2-oxoethyl)-2-(3-bromo-2-methylindol-1-yl)-N-methylacetamide has a molecular weight of 338.21 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(3-bromo-2-methylindol-1-yl)-N-methylacetamide is sourced from PubChem (CID 47414841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).