1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one

C17H16FNO — CID 1474972

IUPAC1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESO=C1CCCc2ccccc2N1Cc1ccc(F)cc1
InChIInChI=1S/C17H16FNO/c18-15-10-8-13(9-11-15)12-19-16-6-2-1-4-14(16)5-3-7-17(19)20/h1-2,4,6,8-11H,3,5,7,12H2
InChIKeyUPTZVCOKJRDHQD-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.70
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one

1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 1474972) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID1474972
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESO=C1CCCc2ccccc2N1Cc1ccc(F)cc1
InChIInChI=1S/C17H16FNO/c18-15-10-8-13(9-11-15)12-19-16-6-2-1-4-14(16)5-3-7-17(19)20/h1-2,4,6,8-11H,3,5,7,12H2
InChIKeyUPTZVCOKJRDHQD-UHFFFAOYSA-N
XLogP3.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]benzonitrile
CID 43342829
1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 1474985
1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 43342817
1-[(4-fluorophenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79909849
1-[(4-fluorophenyl)methyl]-3-methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 65365317
1-[(4-fluorophenyl)methyl]-6-iodo-3,4-dihydroquinolin-2-one
CID 79785399
1-(5-chloropentyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43168521
6-benzyl-1,2,3,4-tetrahydro-1,6-benzodiazocin-5-one
CID 117015886
2-[(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]benzonitrile
CID 43165255
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 43342832
sodium 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate
CID 143402050
1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 103934798

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one (CID 1474972) is 1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one is O=C1CCCc2ccccc2N1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is UPTZVCOKJRDHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-15-10-8-13(9-11-15)12-19-16-6-2-1-4-14(16)5-3-7-17(19)20/h1-2,4,6,8-11H,3,5,7,12H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 269.32 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 1474972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).