(3,4-dichlorophenyl)-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone

C17H13Cl2FN2O — CID 10641642

IUPAC(3,4-dichlorophenyl)-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccc(F)cc2)=N1
InChIInChI=1S/C17H13Cl2FN2O/c18-14-8-5-12(10-15(14)19)17(23)22-9-1-2-16(21-22)11-3-6-13(20)7-4-11/h3-8,10H,1-2,9H2
InChIKeyMFLFGBFDXCPCBG-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.77
Rot. Bonds2

About (3,4-dichlorophenyl)-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone

(3,4-dichlorophenyl)-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone (PubChem CID 10641642) has the molecular formula C17H13Cl2FN2O and a molecular weight of 351.21 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone
PubChem CID10641642
Molecular FormulaC17H13Cl2FN2O
Molecular Weight351.21 g/mol
Exact Mass350.04
IUPAC Name(3,4-dichlorophenyl)-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccc(F)cc2)=N1
InChIInChI=1S/C17H13Cl2FN2O/c18-14-8-5-12(10-15(14)19)17(23)22-9-1-2-16(21-22)11-3-6-13(20)7-4-11/h3-8,10H,1-2,9H2
InChIKeyMFLFGBFDXCPCBG-UHFFFAOYSA-N
XLogP4.77
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone (CID 10641642) is (3,4-dichlorophenyl)-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccc(F)cc2)=N1.
What is the InChIKey of (3,4-dichlorophenyl)-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone?
The InChIKey is MFLFGBFDXCPCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN2O/c18-14-8-5-12(10-15(14)19)17(23)22-9-1-2-16(21-22)11-3-6-13(20)7-4-11/h3-8,10H,1-2,9H2.
What are the key properties of (3,4-dichlorophenyl)-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone?
(3,4-dichlorophenyl)-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone has a molecular weight of 351.21 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[6-(4-fluorophenyl)-4,5-dihydro-3H-pyridazin-2-yl]methanone is sourced from PubChem (CID 10641642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).