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

C17H16ClNO — CID 1474985

IUPAC1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESO=C1CCCc2ccccc2N1Cc1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO/c18-15-8-3-5-13(11-15)12-19-16-9-2-1-6-14(16)7-4-10-17(19)20/h1-3,5-6,8-9,11H,4,7,10,12H2
InChIKeyFPQSQSYIVWZIFQ-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.21
Rot. Bonds2

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

1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one (PubChem CID 1474985) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
PubChem CID1474985
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
SMILESO=C1CCCc2ccccc2N1Cc1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO/c18-15-8-3-5-13(11-15)12-19-16-9-2-1-6-14(16)7-4-10-17(19)20/h1-3,5-6,8-9,11H,4,7,10,12H2
InChIKeyFPQSQSYIVWZIFQ-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-chlorophenyl)methyl]piperidine-2,6-dione
CID 82129732
1-[(4-fluorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 1474972
1-[(3-chlorophenyl)methyl]-3,4-dihydroquinazolin-2-one
CID 141040925
4-[(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]benzonitrile
CID 43342829
1-[(2-aminophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 43342817
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
1-[(3-chlorophenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 15993697
2-[(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]benzonitrile
CID 43165255
3-[(2-oxo-3H-indol-1-yl)methyl]benzenediazonium
CID 174756583
N-(5-chloro-2-methylphenyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 46276054
(3R)-3'-[(3-chlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 9438659

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one (CID 1474985) is 1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one is O=C1CCCc2ccccc2N1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
The InChIKey is FPQSQSYIVWZIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-15-8-3-5-13(11-15)12-19-16-9-2-1-6-14(16)7-4-10-17(19)20/h1-3,5-6,8-9,11H,4,7,10,12H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one?
1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one has a molecular weight of 285.77 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4,5-dihydro-3H-1-benzazepin-2-one is sourced from PubChem (CID 1474985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).