N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide

C18H15FN2O3 — CID 110863302

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2cccc(F)c2c1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H15FN2O3/c1-10-16(17-12(19)3-2-4-13(17)20-10)18(22)21-11-5-6-14-15(9-11)24-8-7-23-14/h2-6,9,20H,7-8H2,1H3,(H,21,22)
InChIKeyGDOQYDPFPLLMEE-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.64
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide (PubChem CID 110863302) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
PubChem CID110863302
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2cccc(F)c2c1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H15FN2O3/c1-10-16(17-12(19)3-2-4-13(17)20-10)18(22)21-11-5-6-14-15(9-11)24-8-7-23-14/h2-6,9,20H,7-8H2,1H3,(H,21,22)
InChIKeyGDOQYDPFPLLMEE-UHFFFAOYSA-N
XLogP3.64
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110863160
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide
CID 2810385
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1H-indole-2-carboxamide
CID 110863295
4-acetyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3239225
2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 777312
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110426437
N-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 9138195
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethylfuran-3-carboxamide
CID 112521563
N-(1,3-benzodioxol-5-yl)-7-fluoro-1H-indole-2-carboxamide
CID 110863157
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056943
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide
CID 44997744
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoro-2-methylsulfonylanilino)acetamide
CID 22305328

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide (CID 110863302) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2cccc(F)c2c1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide?
The InChIKey is GDOQYDPFPLLMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-10-16(17-12(19)3-2-4-13(17)20-10)18(22)21-11-5-6-14-15(9-11)24-8-7-23-14/h2-6,9,20H,7-8H2,1H3,(H,21,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110863302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).