7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one

C22H16F2N2O — CID 159576371

IUPAC7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one
SMILESCc1cc(C2=Nc3ccc(-c4cc(F)cc(F)c4)cc3CC(=O)C2)ccn1
InChIInChI=1S/C22H16F2N2O/c1-13-6-15(4-5-25-13)22-12-20(27)10-17-7-14(2-3-21(17)26-22)16-8-18(23)11-19(24)9-16/h2-9,11H,10,12H2,1H3
InChIKeyHJEAURSCNVSKKP-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.97
Rot. Bonds2

About 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one

7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one (PubChem CID 159576371) has the molecular formula C22H16F2N2O and a molecular weight of 362.38 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one
PubChem CID159576371
Molecular FormulaC22H16F2N2O
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one
SMILESCc1cc(C2=Nc3ccc(-c4cc(F)cc(F)c4)cc3CC(=O)C2)ccn1
InChIInChI=1S/C22H16F2N2O/c1-13-6-15(4-5-25-13)22-12-20(27)10-17-7-14(2-3-21(17)26-22)16-8-18(23)11-19(24)9-16/h2-9,11H,10,12H2,1H3
InChIKeyHJEAURSCNVSKKP-UHFFFAOYSA-N
XLogP4.97
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one?
The IUPAC name of 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one (CID 159576371) is 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one.
What is the SMILES notation for 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one?
The canonical SMILES for 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one is Cc1cc(C2=Nc3ccc(-c4cc(F)cc(F)c4)cc3CC(=O)C2)ccn1.
What is the InChIKey of 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one?
The InChIKey is HJEAURSCNVSKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O/c1-13-6-15(4-5-25-13)22-12-20(27)10-17-7-14(2-3-21(17)26-22)16-8-18(23)11-19(24)9-16/h2-9,11H,10,12H2,1H3.
What are the key properties of 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one?
7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one has a molecular weight of 362.38 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-difluorophenyl)-2-(2-methyl-4-pyridinyl)-3,5-dihydro-1-benzazepin-4-one is sourced from PubChem (CID 159576371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).