N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide

C17H12F2N2O3 — CID 24516141

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c2ccccc21
InChIInChI=1S/C17H12F2N2O3/c1-21-9-12(11-4-2-3-5-13(11)21)16(22)20-10-6-7-14-15(8-10)24-17(18,19)23-14/h2-9H,1H3,(H,20,22)
InChIKeyATDQGXVKXQTGBQ-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.75
Rot. Bonds2

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide (PubChem CID 24516141) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide
PubChem CID24516141
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c2ccccc21
InChIInChI=1S/C17H12F2N2O3/c1-21-9-12(11-4-2-3-5-13(11)21)16(22)20-10-6-7-14-15(8-10)24-17(18,19)23-14/h2-9H,1H3,(H,20,22)
InChIKeyATDQGXVKXQTGBQ-UHFFFAOYSA-N
XLogP3.75
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide 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)-2-oxoacetamide
CID 5304336
3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
CID 9823464
2-((2-aminopyridin-4-yl)methylamino)-N-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)benzamide
CID 44442395
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1-methylindole-3-carboxamide
CID 6866216
N-(4-Methoxy-phenyl)-2-(3-propionyl-indol-1-yl)-acetamide
CID 955258
2-(3-Cyclopropanecarbonyl-indol-1-yl)-N-(3-methoxy-phenyl)-acetamide
CID 965857
2-(3-Acetyl-indol-1-yl)-N-(4-methoxy-phenyl)-acetamide
CID 1088565
N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7117369
2-(6-fluoro-1H-indol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide
CID 16762234
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 16762260
N-[2-(1H-indol-1-yl)ethyl]-2H-1,3-benzodioxole-5-carboxamide
CID 5106913
2-(1H-indol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide
CID 5300155

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide (CID 24516141) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide is Cn1cc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c2ccccc21.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide?
The InChIKey is ATDQGXVKXQTGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c1-21-9-12(11-4-2-3-5-13(11)21)16(22)20-10-6-7-14-15(8-10)24-17(18,19)23-14/h2-9H,1H3,(H,20,22).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylindole-3-carboxamide is sourced from PubChem (CID 24516141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).