5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide

C18H17FN2O4 — CID 113205749

IUPAC5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
SMILESCOc1cc(NC(=O)c2c[nH]c3ccc(F)cc23)cc(OC)c1OC
InChIInChI=1S/C18H17FN2O4/c1-23-15-7-11(8-16(24-2)17(15)25-3)21-18(22)13-9-20-14-5-4-10(19)6-12(13)14/h4-9,20H,1-3H3,(H,21,22)
InChIKeyJNGQCPOYEDAANE-UHFFFAOYSA-N
MW344.34 g/mol
LogP3.59
Rot. Bonds5

About 5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide

5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide (PubChem CID 113205749) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
PubChem CID113205749
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
SMILESCOc1cc(NC(=O)c2c[nH]c3ccc(F)cc23)cc(OC)c1OC
InChIInChI=1S/C18H17FN2O4/c1-23-15-7-11(8-16(24-2)17(15)25-3)21-18(22)13-9-20-14-5-4-10(19)6-12(13)14/h4-9,20H,1-3H3,(H,21,22)
InChIKeyJNGQCPOYEDAANE-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

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Related Compounds

5-methoxy-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113206118
5-chloro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide
CID 113205929
methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate
CID 113205725
5-fluoro-3-methyl-N-(3,4,5-trimethoxyphenyl)-1H-indole-2-carboxamide
CID 113204658
methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
N-(2,3-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 16764740
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
(Z)-3-(5-fluoro-1H-indol-3-yl)-4-oxo-2-(3,4,5-trimethoxyphenyl)but-2-enamide
CID 88939060
5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
CID 113206946
N-(3,5-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206126
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 113208188

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide?
The IUPAC name of 5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide (CID 113205749) is 5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide is COc1cc(NC(=O)c2c[nH]c3ccc(F)cc23)cc(OC)c1OC.
What is the InChIKey of 5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide?
The InChIKey is JNGQCPOYEDAANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-23-15-7-11(8-16(24-2)17(15)25-3)21-18(22)13-9-20-14-5-4-10(19)6-12(13)14/h4-9,20H,1-3H3,(H,21,22).
What are the key properties of 5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide?
5-fluoro-N-(3,4,5-trimethoxyphenyl)-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 5-fluoro-N-(3,4,5-trimethoxyphenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 113205749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).