N-[(1-benzyl-3-bromo-4-methoxyindol-2-yl)methyl]acetamide

C19H19BrN2O2 — CID 11058163

IUPACN-[(1-benzyl-3-bromo-4-methoxyindol-2-yl)methyl]acetamide
SMILESCOc1cccc2c1c(Br)c(CNC(C)=O)n2Cc1ccccc1
InChIInChI=1S/C19H19BrN2O2/c1-13(23)21-11-16-19(20)18-15(9-6-10-17(18)24-2)22(16)12-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyNFGVKGDBPKKWGD-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.10
Rot. Bonds5

About N-[(1-benzyl-3-bromo-4-methoxyindol-2-yl)methyl]acetamide

N-[(1-benzyl-3-bromo-4-methoxyindol-2-yl)methyl]acetamide (PubChem CID 11058163) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is N-[(1-benzyl-3-bromo-4-methoxyindol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-bromo-4-methoxyindol-2-yl)methyl]acetamide
PubChem CID11058163
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC NameN-[(1-benzyl-3-bromo-4-methoxyindol-2-yl)methyl]acetamide
SMILESCOc1cccc2c1c(Br)c(CNC(C)=O)n2Cc1ccccc1
InChIInChI=1S/C19H19BrN2O2/c1-13(23)21-11-16-19(20)18-15(9-6-10-17(18)24-2)22(16)12-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyNFGVKGDBPKKWGD-UHFFFAOYSA-N
XLogP4.10
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-bromo-4-methoxyindol-2-yl)methyl]acetamide?
The IUPAC name of N-[(1-benzyl-3-bromo-4-methoxyindol-2-yl)methyl]acetamide (CID 11058163) is N-[(1-benzyl-3-bromo-4-methoxyindol-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-benzyl-3-bromo-4-methoxyindol-2-yl)methyl]acetamide?
The canonical SMILES for N-[(1-benzyl-3-bromo-4-methoxyindol-2-yl)methyl]acetamide is COc1cccc2c1c(Br)c(CNC(C)=O)n2Cc1ccccc1.
What is the InChIKey of N-[(1-benzyl-3-bromo-4-methoxyindol-2-yl)methyl]acetamide?
The InChIKey is NFGVKGDBPKKWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-13(23)21-11-16-19(20)18-15(9-6-10-17(18)24-2)22(16)12-14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[(1-benzyl-3-bromo-4-methoxyindol-2-yl)methyl]acetamide?
N-[(1-benzyl-3-bromo-4-methoxyindol-2-yl)methyl]acetamide has a molecular weight of 387.28 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-bromo-4-methoxyindol-2-yl)methyl]acetamide is sourced from PubChem (CID 11058163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).