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

C18H16Cl2N2O — CID 10665308

IUPAC(3,4-dichlorophenyl)-(4-methyl-6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
SMILESCC1CC(c2ccccc2)=NN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H16Cl2N2O/c1-12-9-17(13-5-3-2-4-6-13)21-22(11-12)18(23)14-7-8-15(19)16(20)10-14/h2-8,10,12H,9,11H2,1H3
InChIKeyOOAVTSRCEHYJGU-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.88
Rot. Bonds2

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

(3,4-dichlorophenyl)-(4-methyl-6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone (PubChem CID 10665308) has the molecular formula C18H16Cl2N2O and a molecular weight of 347.25 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(4-methyl-6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(4-methyl-6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
PubChem CID10665308
Molecular FormulaC18H16Cl2N2O
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name(3,4-dichlorophenyl)-(4-methyl-6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
SMILESCC1CC(c2ccccc2)=NN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C18H16Cl2N2O/c1-12-9-17(13-5-3-2-4-6-13)21-22(11-12)18(23)14-7-8-15(19)16(20)10-14/h2-8,10,12H,9,11H2,1H3
InChIKeyOOAVTSRCEHYJGU-UHFFFAOYSA-N
XLogP4.88
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(4-methyl-6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(4-methyl-6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone (CID 10665308) is (3,4-dichlorophenyl)-(4-methyl-6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(4-methyl-6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(4-methyl-6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone is CC1CC(c2ccccc2)=NN(C(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3,4-dichlorophenyl)-(4-methyl-6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The InChIKey is OOAVTSRCEHYJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O/c1-12-9-17(13-5-3-2-4-6-13)21-22(11-12)18(23)14-7-8-15(19)16(20)10-14/h2-8,10,12H,9,11H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-(4-methyl-6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
(3,4-dichlorophenyl)-(4-methyl-6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone has a molecular weight of 347.25 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(4-methyl-6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone is sourced from PubChem (CID 10665308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).