N-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide

C17H13FN2O3 — CID 110863160

IUPACN-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2cccc(F)c2c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H13FN2O3/c1-9-15(16-11(18)3-2-4-12(16)19-9)17(21)20-10-5-6-13-14(7-10)23-8-22-13/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyJHZUMOKKFXEDEM-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.60
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide

N-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide (PubChem CID 110863160) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
PubChem CID110863160
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2cccc(F)c2c1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H13FN2O3/c1-9-15(16-11(18)3-2-4-12(16)19-9)17(21)20-10-5-6-13-14(7-10)23-8-22-13/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyJHZUMOKKFXEDEM-UHFFFAOYSA-N
XLogP3.60
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110863302
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110851693
N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide
CID 110863157
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide
CID 2810385
N-(1,3-benzodioxol-5-yl)-2,4,6-trimethylbenzamide
CID 112759099
2-N-(1,3-benzodioxol-5-yl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101071
1-N-(1,3-benzodioxol-5-yl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057439
4-fluoro-N-(2-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859828
N-(1,3-benzodioxol-5-yl)-N'-(2,6-difluorophenyl)propanediamide
CID 108956702
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917
methyl 4-fluoro-2-methyl-1H-indole-3-carboxylate
CID 121220626
2-N-(1,3-benzodioxol-5-yl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101072

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide (CID 110863160) is N-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2cccc(F)c2c1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide?
The InChIKey is JHZUMOKKFXEDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-9-15(16-11(18)3-2-4-12(16)19-9)17(21)20-10-5-6-13-14(7-10)23-8-22-13/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 3.60, 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)-4-fluoro-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110863160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).