6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide

C17H13F3N2O2 — CID 113206647

IUPAC6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ccc(C(F)(F)F)cc3)c[nH]c2c1
InChIInChI=1S/C17H13F3N2O2/c1-24-12-6-7-13-14(9-21-15(13)8-12)16(23)22-11-4-2-10(3-5-11)17(18,19)20/h2-9,21H,1H3,(H,22,23)
InChIKeyFEEHPBDFOGUZJU-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.45
Rot. Bonds3

About 6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide

6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide (PubChem CID 113206647) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
PubChem CID113206647
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ccc(C(F)(F)F)cc3)c[nH]c2c1
InChIInChI=1S/C17H13F3N2O2/c1-24-12-6-7-13-14(9-21-15(13)8-12)16(23)22-11-4-2-10(3-5-11)17(18,19)20/h2-9,21H,1H3,(H,22,23)
InChIKeyFEEHPBDFOGUZJU-UHFFFAOYSA-N
XLogP4.45
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206284
2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 22497238
N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206630
6-methoxy-N-(4-phenylmethoxyphenyl)-1H-indole-3-carboxamide
CID 113206666
5-methoxy-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 113206039
N-(4-chlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206063
5-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 11067605
6-methoxy-N-prop-2-enyl-1H-indole-3-carboxamide
CID 113206506
methyl 2-oxo-2-[6-(trifluoromethyl)-1H-indol-3-yl]acetate
CID 11818094
N-(4-bromo-2-methylphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206671
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
N-(3,4-dichlorophenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206123

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide?
The IUPAC name of 6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide (CID 113206647) is 6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide is COc1ccc2c(C(=O)Nc3ccc(C(F)(F)F)cc3)c[nH]c2c1.
What is the InChIKey of 6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide?
The InChIKey is FEEHPBDFOGUZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c1-24-12-6-7-13-14(9-21-15(13)8-12)16(23)22-11-4-2-10(3-5-11)17(18,19)20/h2-9,21H,1H3,(H,22,23).
What are the key properties of 6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide?
6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide has a molecular weight of 334.30 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 113206647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).