4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one

C24H25FN2O2 — CID 58042761

IUPAC4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1CCc1ccc2c(c1)CCNCC2
InChIInChI=1S/C24H25FN2O2/c25-22-5-2-19(3-6-22)17-29-23-10-14-27(24(28)16-23)13-9-18-1-4-20-7-11-26-12-8-21(20)15-18/h1-6,10,14-16,26H,7-9,11-13,17H2
InChIKeyRUBRUDIMZUOJPH-UHFFFAOYSA-N
MW392.47 g/mol
LogP3.50
Rot. Bonds6

About 4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one

4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one (PubChem CID 58042761) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one
PubChem CID58042761
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1CCc1ccc2c(c1)CCNCC2
InChIInChI=1S/C24H25FN2O2/c25-22-5-2-19(3-6-22)17-29-23-10-14-27(24(28)16-23)13-9-18-1-4-20-7-11-26-12-8-21(20)15-18/h1-6,10,14-16,26H,7-9,11-13,17H2
InChIKeyRUBRUDIMZUOJPH-UHFFFAOYSA-N
XLogP3.50
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one (CID 58042761) is 4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one is O=c1cc(OCc2ccc(F)cc2)ccn1CCc1ccc2c(c1)CCNCC2.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one?
The InChIKey is RUBRUDIMZUOJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c25-22-5-2-19(3-6-22)17-29-23-10-14-27(24(28)16-23)13-9-18-1-4-20-7-11-26-12-8-21(20)15-18/h1-6,10,14-16,26H,7-9,11-13,17H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one has a molecular weight of 392.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 58042761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).