N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide

C14H17BrN2O2 — CID 19082416

IUPACN-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)c(CCNC(C)=O)c(Br)n2C
InChIInChI=1S/C14H17BrN2O2/c1-9(18)16-7-6-11-12-8-10(19-3)4-5-13(12)17(2)14(11)15/h4-5,8H,6-7H2,1-3H3,(H,16,18)
InChIKeyVLISUJQLDDOCGQ-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.63
Rot. Bonds4

About N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide

N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide (PubChem CID 19082416) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide
PubChem CID19082416
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC NameN-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(c1)c(CCNC(C)=O)c(Br)n2C
InChIInChI=1S/C14H17BrN2O2/c1-9(18)16-7-6-11-12-8-10(19-3)4-5-13(12)17(2)14(11)15/h4-5,8H,6-7H2,1-3H3,(H,16,18)
InChIKeyVLISUJQLDDOCGQ-UHFFFAOYSA-N
XLogP2.63
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1,2-dihydroxy-5-methoxyindol-3-yl)ethyl]acetamide
CID 125304874
N-[2-(5-methoxy-1-propan-2-ylindol-3-yl)ethyl]acetamide
CID 86078316
N-[2-(2-bromo-5-methoxyphenyl)ethyl]acetamide
CID 12626088
N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 12985488
N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 162686350
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 15382326
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
sodium 4-[3-(2-acetamidoethyl)-5-methoxyindol-1-yl]-4-oxobutanoate
CID 162470818
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide;sulfuric acid
CID 71529133

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide (CID 19082416) is N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide is COc1ccc2c(c1)c(CCNC(C)=O)c(Br)n2C.
What is the InChIKey of N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide?
The InChIKey is VLISUJQLDDOCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-9(18)16-7-6-11-12-8-10(19-3)4-5-13(12)17(2)14(11)15/h4-5,8H,6-7H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide?
N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide has a molecular weight of 325.21 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-5-methoxy-1-methylindol-3-yl)ethyl]acetamide is sourced from PubChem (CID 19082416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).