(3Z,5Z)-1-(3-bromo-5-fluorophenyl)-7-methylidene-2H-1-benzazonine

C19H15BrFN — CID 90061362

IUPAC(3Z,5Z)-1-(3-bromo-5-fluorophenyl)-7-methylidene-2H-1-benzazonine
SMILESC=C1/C=C\C=C/CN(c2cc(F)cc(Br)c2)c2ccccc21
InChIInChI=1S/C19H15BrFN/c1-14-7-3-2-6-10-22(19-9-5-4-8-18(14)19)17-12-15(20)11-16(21)13-17/h2-9,11-13H,1,10H2/b6-2-,7-3-
InChIKeyANXLABFQOFGYBT-PORYWJCVSA-N
MW356.24 g/mol
LogP5.87
Rot. Bonds1

About (3Z,5Z)-1-(3-bromo-5-fluorophenyl)-7-methylidene-2H-1-benzazonine

(3Z,5Z)-1-(3-bromo-5-fluorophenyl)-7-methylidene-2H-1-benzazonine (PubChem CID 90061362) has the molecular formula C19H15BrFN and a molecular weight of 356.24 g/mol. Its IUPAC name is (3Z,5Z)-1-(3-bromo-5-fluorophenyl)-7-methylidene-2H-1-benzazonine.

Molecular Properties

Compound Name(3Z,5Z)-1-(3-bromo-5-fluorophenyl)-7-methylidene-2H-1-benzazonine
PubChem CID90061362
Molecular FormulaC19H15BrFN
Molecular Weight356.24 g/mol
Exact Mass355.04
IUPAC Name(3Z,5Z)-1-(3-bromo-5-fluorophenyl)-7-methylidene-2H-1-benzazonine
SMILESC=C1/C=C\C=C/CN(c2cc(F)cc(Br)c2)c2ccccc21
InChIInChI=1S/C19H15BrFN/c1-14-7-3-2-6-10-22(19-9-5-4-8-18(14)19)17-12-15(20)11-16(21)13-17/h2-9,11-13H,1,10H2/b6-2-,7-3-
InChIKeyANXLABFQOFGYBT-PORYWJCVSA-N
XLogP5.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.24
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-1-(3-bromo-5-fluorophenyl)-7-methylidene-2H-1-benzazonine?
The IUPAC name of (3Z,5Z)-1-(3-bromo-5-fluorophenyl)-7-methylidene-2H-1-benzazonine (CID 90061362) is (3Z,5Z)-1-(3-bromo-5-fluorophenyl)-7-methylidene-2H-1-benzazonine.
What is the SMILES notation for (3Z,5Z)-1-(3-bromo-5-fluorophenyl)-7-methylidene-2H-1-benzazonine?
The canonical SMILES for (3Z,5Z)-1-(3-bromo-5-fluorophenyl)-7-methylidene-2H-1-benzazonine is C=C1/C=C\C=C/CN(c2cc(F)cc(Br)c2)c2ccccc21.
What is the InChIKey of (3Z,5Z)-1-(3-bromo-5-fluorophenyl)-7-methylidene-2H-1-benzazonine?
The InChIKey is ANXLABFQOFGYBT-PORYWJCVSA-N. The full InChI is InChI=1S/C19H15BrFN/c1-14-7-3-2-6-10-22(19-9-5-4-8-18(14)19)17-12-15(20)11-16(21)13-17/h2-9,11-13H,1,10H2/b6-2-,7-3-.
What are the key properties of (3Z,5Z)-1-(3-bromo-5-fluorophenyl)-7-methylidene-2H-1-benzazonine?
(3Z,5Z)-1-(3-bromo-5-fluorophenyl)-7-methylidene-2H-1-benzazonine has a molecular weight of 356.24 g/mol, XLogP of 5.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-1-(3-bromo-5-fluorophenyl)-7-methylidene-2H-1-benzazonine is sourced from PubChem (CID 90061362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).