6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride

C23H25ClF2N2O — CID 69093201

IUPAC6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride
SMILESCl.O=C1Nc2cc(F)ccc2C1CCCCN1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24F2N2O.ClH/c24-18-6-4-16(5-7-18)17-10-13-27(14-11-17)12-2-1-3-21-20-9-8-19(25)15-22(20)26-23(21)28;/h4-10,15,21H,1-3,11-14H2,(H,26,28);1H
InChIKeyVFTGSVYSVUIWIC-UHFFFAOYSA-N
MW418.92 g/mol
LogP5.38
Rot. Bonds6

About 6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride

6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride (PubChem CID 69093201) has the molecular formula C23H25ClF2N2O and a molecular weight of 418.92 g/mol. Its IUPAC name is 6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride.

Molecular Properties

Compound Name6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride
PubChem CID69093201
Molecular FormulaC23H25ClF2N2O
Molecular Weight418.92 g/mol
Exact Mass418.16
IUPAC Name6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride
SMILESCl.O=C1Nc2cc(F)ccc2C1CCCCN1CC=C(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H24F2N2O.ClH/c24-18-6-4-16(5-7-18)17-10-13-27(14-11-17)12-2-1-3-21-20-9-8-19(25)15-22(20)26-23(21)28;/h4-10,15,21H,1-3,11-14H2,(H,26,28);1H
InChIKeyVFTGSVYSVUIWIC-UHFFFAOYSA-N
XLogP5.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.92
LogP ≤ 55.38
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 6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride?
The IUPAC name of 6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride (CID 69093201) is 6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride.
What is the SMILES notation for 6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride?
The canonical SMILES for 6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride is Cl.O=C1Nc2cc(F)ccc2C1CCCCN1CC=C(c2ccc(F)cc2)CC1.
What is the InChIKey of 6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride?
The InChIKey is VFTGSVYSVUIWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O.ClH/c24-18-6-4-16(5-7-18)17-10-13-27(14-11-17)12-2-1-3-21-20-9-8-19(25)15-22(20)26-23(21)28;/h4-10,15,21H,1-3,11-14H2,(H,26,28);1H.
What are the key properties of 6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride?
6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride has a molecular weight of 418.92 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1,3-dihydroindol-2-one;hydrochloride is sourced from PubChem (CID 69093201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).