N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide

C17H14F2N2O3 — CID 113207048

IUPACN-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)Nc3c(F)cccc3F)c2cc1OC
InChIInChI=1S/C17H14F2N2O3/c1-23-14-6-9-10(8-20-13(9)7-15(14)24-2)17(22)21-16-11(18)4-3-5-12(16)19/h3-8,20H,1-2H3,(H,21,22)
InChIKeyPIEJMADFPFOHFG-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.72
Rot. Bonds4

About N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide

N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide (PubChem CID 113207048) has the molecular formula C17H14F2N2O3 and a molecular weight of 332.31 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
PubChem CID113207048
Molecular FormulaC17H14F2N2O3
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC NameN-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)Nc3c(F)cccc3F)c2cc1OC
InChIInChI=1S/C17H14F2N2O3/c1-23-14-6-9-10(8-20-13(9)7-15(14)24-2)17(22)21-16-11(18)4-3-5-12(16)19/h3-8,20H,1-2H3,(H,21,22)
InChIKeyPIEJMADFPFOHFG-UHFFFAOYSA-N
XLogP3.72
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206966
5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
CID 113206946
N-(3-acetamidophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113207001
5,6-dimethoxy-N-(3-methoxyphenyl)-1H-indole-3-carboxamide
CID 113206986
N-(2-chloro-4,6-dimethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206980
5,6-dimethoxy-N-(2-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206991
5,6-dimethoxy-N-(4-propan-2-yloxyphenyl)-1H-indole-3-carboxamide
CID 113206992
N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206798
N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206859
5-cyclopentyloxy-N-(2,6-difluorophenyl)-2-fluoro-4-methoxybenzamide
CID 22145684
N-(2-bromo-6-fluorophenyl)-1H-indole-3-carboxamide
CID 107602604
5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113205749

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide (CID 113207048) is N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide is COc1cc2[nH]cc(C(=O)Nc3c(F)cccc3F)c2cc1OC.
What is the InChIKey of N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide?
The InChIKey is PIEJMADFPFOHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3/c1-23-14-6-9-10(8-20-13(9)7-15(14)24-2)17(22)21-16-11(18)4-3-5-12(16)19/h3-8,20H,1-2H3,(H,21,22).
What are the key properties of N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide?
N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide has a molecular weight of 332.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113207048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).