3-amino-6-fluoro-1-(4-methylphenyl)-3,5-dihydro-2-benzazepin-4-one

C17H15FN2O — CID 161149697

IUPAC3-amino-6-fluoro-1-(4-methylphenyl)-3,5-dihydro-2-benzazepin-4-one
SMILESCc1ccc(C2=NC(N)C(=O)Cc3c(F)cccc32)cc1
InChIInChI=1S/C17H15FN2O/c1-10-5-7-11(8-6-10)16-12-3-2-4-14(18)13(12)9-15(21)17(19)20-16/h2-8,17H,9,19H2,1H3
InChIKeyUOMYKDMQTXUFDM-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.38
Rot. Bonds1

About 3-amino-6-fluoro-1-(4-methylphenyl)-3,5-dihydro-2-benzazepin-4-one

3-amino-6-fluoro-1-(4-methylphenyl)-3,5-dihydro-2-benzazepin-4-one (PubChem CID 161149697) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-amino-6-fluoro-1-(4-methylphenyl)-3,5-dihydro-2-benzazepin-4-one.

Molecular Properties

Compound Name3-amino-6-fluoro-1-(4-methylphenyl)-3,5-dihydro-2-benzazepin-4-one
PubChem CID161149697
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-amino-6-fluoro-1-(4-methylphenyl)-3,5-dihydro-2-benzazepin-4-one
SMILESCc1ccc(C2=NC(N)C(=O)Cc3c(F)cccc32)cc1
InChIInChI=1S/C17H15FN2O/c1-10-5-7-11(8-6-10)16-12-3-2-4-14(18)13(12)9-15(21)17(19)20-16/h2-8,17H,9,19H2,1H3
InChIKeyUOMYKDMQTXUFDM-UHFFFAOYSA-N
XLogP2.38
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-fluoro-1-(4-methylphenyl)-3,5-dihydro-2-benzazepin-4-one?
The IUPAC name of 3-amino-6-fluoro-1-(4-methylphenyl)-3,5-dihydro-2-benzazepin-4-one (CID 161149697) is 3-amino-6-fluoro-1-(4-methylphenyl)-3,5-dihydro-2-benzazepin-4-one.
What is the SMILES notation for 3-amino-6-fluoro-1-(4-methylphenyl)-3,5-dihydro-2-benzazepin-4-one?
The canonical SMILES for 3-amino-6-fluoro-1-(4-methylphenyl)-3,5-dihydro-2-benzazepin-4-one is Cc1ccc(C2=NC(N)C(=O)Cc3c(F)cccc32)cc1.
What is the InChIKey of 3-amino-6-fluoro-1-(4-methylphenyl)-3,5-dihydro-2-benzazepin-4-one?
The InChIKey is UOMYKDMQTXUFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-10-5-7-11(8-6-10)16-12-3-2-4-14(18)13(12)9-15(21)17(19)20-16/h2-8,17H,9,19H2,1H3.
What are the key properties of 3-amino-6-fluoro-1-(4-methylphenyl)-3,5-dihydro-2-benzazepin-4-one?
3-amino-6-fluoro-1-(4-methylphenyl)-3,5-dihydro-2-benzazepin-4-one has a molecular weight of 282.32 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-fluoro-1-(4-methylphenyl)-3,5-dihydro-2-benzazepin-4-one is sourced from PubChem (CID 161149697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).