N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide

C18H17BrN2O2 — CID 55718467

IUPACN-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide
SMILESCOc1ccc2c(ccn2CC(=O)NCc2cccc(Br)c2)c1
InChIInChI=1S/C18H17BrN2O2/c1-23-16-5-6-17-14(10-16)7-8-21(17)12-18(22)20-11-13-3-2-4-15(19)9-13/h2-10H,11-12H2,1H3,(H,20,22)
InChIKeyDRFXGRWSBAOSDO-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.73
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide

N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide (PubChem CID 55718467) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide
PubChem CID55718467
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC NameN-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide
SMILESCOc1ccc2c(ccn2CC(=O)NCc2cccc(Br)c2)c1
InChIInChI=1S/C18H17BrN2O2/c1-23-16-5-6-17-14(10-16)7-8-21(17)12-18(22)20-11-13-3-2-4-15(19)9-13/h2-10H,11-12H2,1H3,(H,20,22)
InChIKeyDRFXGRWSBAOSDO-UHFFFAOYSA-N
XLogP3.73
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 55577664
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide
CID 115582181
N-(5-bromo-2-pyridinyl)-2-(5-methoxyindol-1-yl)acetamide
CID 29139061
2-(5-methoxyindol-1-yl)-N-(1-propan-2-ylindol-4-yl)acetamide
CID 56763610
N-[(3-bromophenyl)methyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55576899
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide
CID 91645810
N-tert-butyl-2-(5-methoxyindol-1-yl)acetamide
CID 115582184
N-(2-hydroxy-2-phenylpropyl)-2-(5-methoxyindol-1-yl)acetamide
CID 111335212
3-(1-ethylindol-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 71840847
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(5-methoxyindol-1-yl)acetamide
CID 111120024
(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
CID 39377928

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide (CID 55718467) is N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide is COc1ccc2c(ccn2CC(=O)NCc2cccc(Br)c2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide?
The InChIKey is DRFXGRWSBAOSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c1-23-16-5-6-17-14(10-16)7-8-21(17)12-18(22)20-11-13-3-2-4-15(19)9-13/h2-10H,11-12H2,1H3,(H,20,22).
What are the key properties of N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide?
N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide has a molecular weight of 373.25 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-2-(5-methoxyindol-1-yl)acetamide is sourced from PubChem (CID 55718467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).