2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide

C15H15Cl2N3O2 — CID 12807338

IUPAC2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)C2CC2(Cl)Cl)cc1
InChIInChI=1S/C15H15Cl2N3O2/c1-8-6-12(21)19-20-13(8)9-2-4-10(5-3-9)18-14(22)11-7-15(11,16)17/h2-5,8,11H,6-7H2,1H3,(H,18,22)(H,19,21)
InChIKeyXLMBHVIHHFBKMO-UHFFFAOYSA-N
MW340.21 g/mol
LogP2.68
Rot. Bonds3

About 2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide

2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide (PubChem CID 12807338) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
PubChem CID12807338
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)C2CC2(Cl)Cl)cc1
InChIInChI=1S/C15H15Cl2N3O2/c1-8-6-12(21)19-20-13(8)9-2-4-10(5-3-9)18-14(22)11-7-15(11,16)17/h2-5,8,11H,6-7H2,1H3,(H,18,22)(H,19,21)
InChIKeyXLMBHVIHHFBKMO-UHFFFAOYSA-N
XLogP2.68
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide (CID 12807338) is 2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide is CC1CC(=O)NN=C1c1ccc(NC(=O)C2CC2(Cl)Cl)cc1.
What is the InChIKey of 2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is XLMBHVIHHFBKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c1-8-6-12(21)19-20-13(8)9-2-4-10(5-3-9)18-14(22)11-7-15(11,16)17/h2-5,8,11H,6-7H2,1H3,(H,18,22)(H,19,21).
What are the key properties of 2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide?
2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 340.21 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 12807338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).