3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide

C19H15F5N2O — CID 166586041

IUPAC3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCC(F)(F)F
InChIInChI=1S/C19H15F5N2O/c20-12-3-1-11(2-4-12)18-14(6-8-17(27)25-10-19(22,23)24)15-9-13(21)5-7-16(15)26-18/h1-5,7,9,26H,6,8,10H2,(H,25,27)
InChIKeyJXMODQFCEPZJKJ-UHFFFAOYSA-N
MW382.33 g/mol
LogP4.72
Rot. Bonds5

About 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide

3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 166586041) has the molecular formula C19H15F5N2O and a molecular weight of 382.33 g/mol. Its IUPAC name is 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID166586041
Molecular FormulaC19H15F5N2O
Molecular Weight382.33 g/mol
Exact Mass382.11
IUPAC Name3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCC(F)(F)F
InChIInChI=1S/C19H15F5N2O/c20-12-3-1-11(2-4-12)18-14(6-8-17(27)25-10-19(22,23)24)15-9-13(21)5-7-16(15)26-18/h1-5,7,9,26H,6,8,10H2,(H,25,27)
InChIKeyJXMODQFCEPZJKJ-UHFFFAOYSA-N
XLogP4.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 9084151
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 17392425
N-[2-(diethylamino)ethyl]-3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 8865731
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(furan-3-ylmethyl)propanamide
CID 166184600
2-[3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylpropanamide
CID 166886005
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 8531448
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide
CID 78854501
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2S)-1-hydroxypropan-2-yl]propanamide
CID 166585985
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 8533693
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2R)-1-methoxypropan-2-yl]propanamide
CID 26011121
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 55803522
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 25326081

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 166586041) is 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)NCC(F)(F)F.
What is the InChIKey of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is JXMODQFCEPZJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N2O/c20-12-3-1-11(2-4-12)18-14(6-8-17(27)25-10-19(22,23)24)15-9-13(21)5-7-16(15)26-18/h1-5,7,9,26H,6,8,10H2,(H,25,27).
What are the key properties of 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide?
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 382.33 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 166586041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).