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

C20H21BrN2O2 — CID 47049057

IUPAC2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)Cn1c(C)c(Br)c2ccccc21
InChIInChI=1S/C20H21BrN2O2/c1-14-20(21)16-8-4-5-9-17(16)23(14)13-19(24)22-12-11-15-7-3-6-10-18(15)25-2/h3-10H,11-13H2,1-2H3,(H,22,24)
InChIKeyYEFNMGFHJPZPRV-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.08
Rot. Bonds6

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

2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 47049057) has the molecular formula C20H21BrN2O2 and a molecular weight of 401.30 g/mol. Its IUPAC name is 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID47049057
Molecular FormulaC20H21BrN2O2
Molecular Weight401.30 g/mol
Exact Mass400.08
IUPAC Name2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)Cn1c(C)c(Br)c2ccccc21
InChIInChI=1S/C20H21BrN2O2/c1-14-20(21)16-8-4-5-9-17(16)23(14)13-19(24)22-12-11-15-7-3-6-10-18(15)25-2/h3-10H,11-13H2,1-2H3,(H,22,24)
InChIKeyYEFNMGFHJPZPRV-UHFFFAOYSA-N
XLogP4.08
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]acetamide
CID 166306203
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 46259369
2-(3-bromo-2-methylindol-1-yl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 55859179
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
N-[2-(2-methoxyphenyl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 112977943
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 26777809
2-(1,2-dimethylindol-3-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide
CID 7087302
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide
CID 110641432
2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
CID 110791950

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 47049057) is 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)Cn1c(C)c(Br)c2ccccc21.
What is the InChIKey of 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is YEFNMGFHJPZPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O2/c1-14-20(21)16-8-4-5-9-17(16)23(14)13-19(24)22-12-11-15-7-3-6-10-18(15)25-2/h3-10H,11-13H2,1-2H3,(H,22,24).
What are the key properties of 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 401.30 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylindol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 47049057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).