N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide

C18H17FN2O4 — CID 113206798

IUPACN-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)Nc3ccccc3F)c2c(OC)c1OC
InChIInChI=1S/C18H17FN2O4/c1-23-14-8-13-15(17(25-3)16(14)24-2)10(9-20-13)18(22)21-12-7-5-4-6-11(12)19/h4-9,20H,1-3H3,(H,21,22)
InChIKeyYVWOSPXXWUHUMK-UHFFFAOYSA-N
MW344.34 g/mol
LogP3.59
Rot. Bonds5

About N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide

N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide (PubChem CID 113206798) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
PubChem CID113206798
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC NameN-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)Nc3ccccc3F)c2c(OC)c1OC
InChIInChI=1S/C18H17FN2O4/c1-23-14-8-13-15(17(25-3)16(14)24-2)10(9-20-13)18(22)21-12-7-5-4-6-11(12)19/h4-9,20H,1-3H3,(H,21,22)
InChIKeyYVWOSPXXWUHUMK-UHFFFAOYSA-N
XLogP3.59
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-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-ethylphenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206787
4,5,6-trimethoxy-N-(2-propan-2-ylphenyl)-1H-indole-3-carboxamide
CID 113206791
4,5,6-trimethoxy-N-(2-methoxy-5-methylphenyl)-1H-indole-3-carboxamide
CID 113206816
4,5,6-trimethoxy-N-[2-(2-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206747
N-[2-(4-fluorophenyl)ethyl]-4,5,6-trimethoxy-1H-indole-3-carboxamide
CID 113206746
4,5,6-trimethoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206727
5,7-difluoro-N-(2-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39851635
N-(2,6-difluorophenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113207048
N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide
CID 4552214
4,5,6-trimethoxy-N-methyl-N-phenyl-1H-indole-3-carboxamide
CID 113206778
N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide
CID 137464589
4,5,6-trimethoxy-N-(pyridin-4-ylmethyl)-1H-indole-3-carboxamide
CID 113206742

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide (CID 113206798) is N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide is COc1cc2[nH]cc(C(=O)Nc3ccccc3F)c2c(OC)c1OC.
What is the InChIKey of N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide?
The InChIKey is YVWOSPXXWUHUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-23-14-8-13-15(17(25-3)16(14)24-2)10(9-20-13)18(22)21-12-7-5-4-6-11(12)19/h4-9,20H,1-3H3,(H,21,22).
What are the key properties of N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide?
N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4,5,6-trimethoxy-1H-indole-3-carboxamide is sourced from PubChem (CID 113206798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).