[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone

C17H15ClN2O — CID 1488624

IUPAC[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H15ClN2O/c18-15-10-8-13(9-11-15)16-7-4-12-20(19-16)17(21)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12H2
InChIKeyKGTJBKFUKPESIM-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.98
Rot. Bonds2

About [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone

[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone (PubChem CID 1488624) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone
PubChem CID1488624
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H15ClN2O/c18-15-10-8-13(9-11-15)16-7-4-12-20(19-16)17(21)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12H2
InChIKeyKGTJBKFUKPESIM-UHFFFAOYSA-N
XLogP3.98
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone?
The IUPAC name of [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone (CID 1488624) is [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone.
What is the SMILES notation for [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone?
The canonical SMILES for [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone?
The InChIKey is KGTJBKFUKPESIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-15-10-8-13(9-11-15)16-7-4-12-20(19-16)17(21)14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12H2.
What are the key properties of [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone?
[6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone has a molecular weight of 298.77 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]-phenylmethanone is sourced from PubChem (CID 1488624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).