3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C27H24F4N2O — CID 42801362

IUPAC3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCCn1cc(C(CC(=O)NCc2cccc(C(F)(F)F)c2)c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C27H24F4N2O/c1-2-33-17-24(22-11-3-4-12-25(22)33)23(19-8-6-10-21(28)14-19)15-26(34)32-16-18-7-5-9-20(13-18)27(29,30)31/h3-14,17,23H,2,15-16H2,1H3,(H,32,34)
InChIKeyKBDJLKGCGDDOKR-UHFFFAOYSA-N
MW468.49 g/mol
LogP6.66
Rot. Bonds7

About 3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 42801362) has the molecular formula C27H24F4N2O and a molecular weight of 468.49 g/mol. Its IUPAC name is 3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID42801362
Molecular FormulaC27H24F4N2O
Molecular Weight468.49 g/mol
Exact Mass468.18
IUPAC Name3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCCn1cc(C(CC(=O)NCc2cccc(C(F)(F)F)c2)c2cccc(F)c2)c2ccccc21
InChIInChI=1S/C27H24F4N2O/c1-2-33-17-24(22-11-3-4-12-25(22)33)23(19-8-6-10-21(28)14-19)15-26(34)32-16-18-7-5-9-20(13-18)27(29,30)31/h3-14,17,23H,2,15-16H2,1H3,(H,32,34)
InChIKeyKBDJLKGCGDDOKR-UHFFFAOYSA-N
XLogP6.66
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.49
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 3336438
(3R)-3-(1-methylindol-3-yl)-N-(2-phenylethyl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93122545
3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42801286
(3S)-N-benzyl-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92952967
N-(2-methoxyethyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 83287622
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide
CID 93119937
(3S)-N-benzyl-3-(1-benzyl-5-nitroindol-3-yl)-3-(3-fluorophenyl)propanamide
CID 93120246
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93122572
(3R)-N-[(4-fluorophenyl)methyl]-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-3-(3-methylphenyl)propanamide
CID 92957100
(3R)-N-hexyl-3-(1-methylindol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93122569
N-(1,2-diphenylethyl)-3-(1-ethylindol-3-yl)-3-(4-fluorophenyl)propanamide
CID 42801280
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3-fluorophenyl)-3-(1-methylindol-3-yl)propanamide
CID 93122604

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 42801362) is 3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is CCn1cc(C(CC(=O)NCc2cccc(C(F)(F)F)c2)c2cccc(F)c2)c2ccccc21.
What is the InChIKey of 3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is KBDJLKGCGDDOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F4N2O/c1-2-33-17-24(22-11-3-4-12-25(22)33)23(19-8-6-10-21(28)14-19)15-26(34)32-16-18-7-5-9-20(13-18)27(29,30)31/h3-14,17,23H,2,15-16H2,1H3,(H,32,34).
What are the key properties of 3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 468.49 g/mol, XLogP of 6.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylindol-3-yl)-3-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 42801362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).