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

C24H25F3N2O — CID 11683077

IUPAC3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1CCCCN1CC=C(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H25F3N2O/c25-24(26,27)19-7-5-6-18(16-19)17-11-14-29(15-12-17)13-4-3-9-21-20-8-1-2-10-22(20)28-23(21)30/h1-2,5-8,10-11,16,21H,3-4,9,12-15H2,(H,28,30)
InChIKeyGIIZJZBEFPZVKI-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.70
Rot. Bonds6

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

3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one (PubChem CID 11683077) has the molecular formula C24H25F3N2O and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one
PubChem CID11683077
Molecular FormulaC24H25F3N2O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccccc2C1CCCCN1CC=C(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H25F3N2O/c25-24(26,27)19-7-5-6-18(16-19)17-11-14-29(15-12-17)13-4-3-9-21-20-8-1-2-10-22(20)28-23(21)30/h1-2,5-8,10-11,16,21H,3-4,9,12-15H2,(H,28,30)
InChIKeyGIIZJZBEFPZVKI-UHFFFAOYSA-N
XLogP5.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.70
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 3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one?
The IUPAC name of 3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one (CID 11683077) is 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 3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one is O=C1Nc2ccccc2C1CCCCN1CC=C(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one?
The InChIKey is GIIZJZBEFPZVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O/c25-24(26,27)19-7-5-6-18(16-19)17-11-14-29(15-12-17)13-4-3-9-21-20-8-1-2-10-22(20)28-23(21)30/h1-2,5-8,10-11,16,21H,3-4,9,12-15H2,(H,28,30).
What are the key properties of 3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one?
3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one has a molecular weight of 414.47 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 11683077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).