N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide

C18H15FN2O3 — CID 167803421

IUPACN-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1c[nH]c2cc(F)ccc12)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H15FN2O3/c1-21(13-3-5-16-17(8-13)24-10-23-16)18(22)6-11-9-20-15-7-12(19)2-4-14(11)15/h2-5,7-9,20H,6,10H2,1H3
InChIKeyNAGKUPHLKQLNDP-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.24
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide

N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide (PubChem CID 167803421) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide
PubChem CID167803421
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide
SMILESCN(C(=O)Cc1c[nH]c2cc(F)ccc12)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H15FN2O3/c1-21(13-3-5-16-17(8-13)24-10-23-16)18(22)6-11-9-20-15-7-12(19)2-4-14(11)15/h2-5,7-9,20H,6,10H2,1H3
InChIKeyNAGKUPHLKQLNDP-UHFFFAOYSA-N
XLogP3.24
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-N-methylacetamide
CID 110752269
3-[[2-(6-fluoro-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119228796
2-(5-fluoro-1H-indol-3-yl)-N-methyl-N-phenylacetamide
CID 110700278
2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide
CID 113209412
N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide
CID 69228367
N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide
CID 115167015
2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-(6-fluoro-1H-indol-3-yl)propanoic acid
CID 102554220
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 112513932
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 113085355
2-amino-4-[1,3-benzodioxol-5-yl(methyl)amino]-4-oxobutanoic acid
CID 115181007
2-(6-fluoro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113209385
N-(1,3-benzodioxol-5-yl)-2-(ethylamino)-N-methylacetamide
CID 115157761

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide (CID 167803421) is N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide is CN(C(=O)Cc1c[nH]c2cc(F)ccc12)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide?
The InChIKey is NAGKUPHLKQLNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-21(13-3-5-16-17(8-13)24-10-23-16)18(22)6-11-9-20-15-7-12(19)2-4-14(11)15/h2-5,7-9,20H,6,10H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide?
N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide has a molecular weight of 326.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methylacetamide is sourced from PubChem (CID 167803421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).