5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one

C24H24F4N2O — CID 11532105

IUPAC5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1CCCCN1CC=C(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H24F4N2O/c25-19-7-8-22-21(15-19)20(23(31)29-22)6-1-2-11-30-12-9-16(10-13-30)17-4-3-5-18(14-17)24(26,27)28/h3-5,7-9,14-15,20H,1-2,6,10-13H2,(H,29,31)
InChIKeyAFFLRZAJRVFCHF-UHFFFAOYSA-N
MW432.46 g/mol
LogP5.84
Rot. Bonds6

About 5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one

5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one (PubChem CID 11532105) has the molecular formula C24H24F4N2O and a molecular weight of 432.46 g/mol. Its IUPAC name is 5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one
PubChem CID11532105
Molecular FormulaC24H24F4N2O
Molecular Weight432.46 g/mol
Exact Mass432.18
IUPAC Name5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1CCCCN1CC=C(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H24F4N2O/c25-19-7-8-22-21(15-19)20(23(31)29-22)6-1-2-11-30-12-9-16(10-13-30)17-4-3-5-18(14-17)24(26,27)28/h3-5,7-9,14-15,20H,1-2,6,10-13H2,(H,29,31)
InChIKeyAFFLRZAJRVFCHF-UHFFFAOYSA-N
XLogP5.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.46
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one (CID 11532105) is 5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1CCCCN1CC=C(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one?
The InChIKey is AFFLRZAJRVFCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N2O/c25-19-7-8-22-21(15-19)20(23(31)29-22)6-1-2-11-30-12-9-16(10-13-30)17-4-3-5-18(14-17)24(26,27)28/h3-5,7-9,14-15,20H,1-2,6,10-13H2,(H,29,31).
What are the key properties of 5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one?
5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one has a molecular weight of 432.46 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 11532105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).