2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide

C19H16F4N2O — CID 113210404

IUPAC2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)F)c1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C19H16F4N2O/c1-18(2,15-10-24-16-9-12(20)6-7-14(15)16)17(26)25-13-5-3-4-11(8-13)19(21,22)23/h3-10,24H,1-2H3,(H,25,26)
InChIKeyWXVYOMACTDHTLX-UHFFFAOYSA-N
MW364.34 g/mol
LogP5.24
Rot. Bonds3

About 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide

2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 113210404) has the molecular formula C19H16F4N2O and a molecular weight of 364.34 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID113210404
Molecular FormulaC19H16F4N2O
Molecular Weight364.34 g/mol
Exact Mass364.12
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)F)c1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C19H16F4N2O/c1-18(2,15-10-24-16-9-12(20)6-7-14(15)16)17(26)25-13-5-3-4-11(8-13)19(21,22)23/h3-10,24H,1-2H3,(H,25,26)
InChIKeyWXVYOMACTDHTLX-UHFFFAOYSA-N
XLogP5.24
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.34
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113210405
2-(1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113209036
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-phenylpropanamide
CID 113210367
N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209987
2-(6-fluoro-1H-indol-3-yl)-N-(2-fluorophenyl)-2-methylpropanamide
CID 113210383
2-(5-chloro-1H-indol-3-yl)-N-(3-fluorophenyl)-2-methylpropanamide
CID 113210111
N-(3,4-difluorophenyl)-2-(1H-indol-3-yl)-2-methylpropanamide
CID 113209071
2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 71371552
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-pentylpropanamide
CID 113210360
N-[3-(dimethylamino)propyl]-2-(6-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113210302
(2R)-3,3,3-trifluoro-2-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 10542294
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 669889

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide (CID 113210404) is 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is CC(C)(C(=O)Nc1cccc(C(F)(F)F)c1)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WXVYOMACTDHTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O/c1-18(2,15-10-24-16-9-12(20)6-7-14(15)16)17(26)25-13-5-3-4-11(8-13)19(21,22)23/h3-10,24H,1-2H3,(H,25,26).
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide?
2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 364.34 g/mol, XLogP of 5.24, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 113210404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).