(4-bromophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone

C17H15BrN2O — CID 10688714

IUPAC(4-bromophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCCC(c2ccccc2)=N1
InChIInChI=1S/C17H15BrN2O/c18-15-10-8-14(9-11-15)17(21)20-12-4-7-16(19-20)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2
InChIKeyQLIJOARBFPIACM-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.09
Rot. Bonds2

About (4-bromophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone

(4-bromophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone (PubChem CID 10688714) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is (4-bromophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
PubChem CID10688714
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name(4-bromophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
SMILESO=C(c1ccc(Br)cc1)N1CCCC(c2ccccc2)=N1
InChIInChI=1S/C17H15BrN2O/c18-15-10-8-14(9-11-15)17(21)20-12-4-7-16(19-20)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2
InChIKeyQLIJOARBFPIACM-UHFFFAOYSA-N
XLogP4.09
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The IUPAC name of (4-bromophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone (CID 10688714) is (4-bromophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone is O=C(c1ccc(Br)cc1)N1CCCC(c2ccccc2)=N1.
What is the InChIKey of (4-bromophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The InChIKey is QLIJOARBFPIACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-15-10-8-14(9-11-15)17(21)20-12-4-7-16(19-20)13-5-2-1-3-6-13/h1-3,5-6,8-11H,4,7,12H2.
What are the key properties of (4-bromophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
(4-bromophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone has a molecular weight of 343.22 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone is sourced from PubChem (CID 10688714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).