N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide

C16H11FN2O3 — CID 110863157

IUPACN-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc2cccc(F)c2[nH]1
InChIInChI=1S/C16H11FN2O3/c17-11-3-1-2-9-6-12(19-15(9)11)16(20)18-10-4-5-13-14(7-10)22-8-21-13/h1-7,19H,8H2,(H,18,20)
InChIKeyMJOOUVOOECWLCI-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.29
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide

N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide (PubChem CID 110863157) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide
PubChem CID110863157
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cc2cccc(F)c2[nH]1
InChIInChI=1S/C16H11FN2O3/c17-11-3-1-2-9-6-12(19-15(9)11)16(20)18-10-4-5-13-14(7-10)22-8-21-13/h1-7,19H,8H2,(H,18,20)
InChIKeyMJOOUVOOECWLCI-UHFFFAOYSA-N
XLogP3.29
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-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-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110863160
2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101071
2-N-(1,3-benzodioxol-5-yl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101072
1-N-(1,3-benzodioxol-5-yl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057439
N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39877251
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide
CID 2810385
N-(1,3-benzodioxol-5-yl)naphthalene-1-carboxamide
CID 1154201
N-(1,3-benzodioxol-5-yl)-N'-(2,6-difluorophenyl)propanediamide
CID 108956702
6-N-(1,3-benzodioxol-5-yl)-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097797
1-(1,3-benzodioxol-5-yl)-3-(4-fluoroanilino)urea
CID 10589488
N-(1,3-benzodioxol-5-yl)-2-(4-fluoroanilino)benzamide
CID 30887113
1-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)urea
CID 6468432

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide (CID 110863157) is N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cc2cccc(F)c2[nH]1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide?
The InChIKey is MJOOUVOOECWLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c17-11-3-1-2-9-6-12(19-15(9)11)16(20)18-10-4-5-13-14(7-10)22-8-21-13/h1-7,19H,8H2,(H,18,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 110863157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).