N-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

C18H12ClF2N3O2 — CID 26706927

IUPACN-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(Cl)c2F)nn1-c1ccccc1F
InChIInChI=1S/C18H12ClF2N3O2/c1-10-9-15(25)17(23-24(10)14-8-3-2-6-12(14)20)18(26)22-13-7-4-5-11(19)16(13)21/h2-9H,1H3,(H,22,26)
InChIKeyVHGFUCDRSXYURW-UHFFFAOYSA-N
MW375.76 g/mol
LogP3.72
Rot. Bonds3

About N-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

N-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 26706927) has the molecular formula C18H12ClF2N3O2 and a molecular weight of 375.76 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID26706927
Molecular FormulaC18H12ClF2N3O2
Molecular Weight375.76 g/mol
Exact Mass375.06
IUPAC NameN-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(Cl)c2F)nn1-c1ccccc1F
InChIInChI=1S/C18H12ClF2N3O2/c1-10-9-15(25)17(23-24(10)14-8-3-2-6-12(14)20)18(26)22-13-7-4-5-11(19)16(13)21/h2-9H,1H3,(H,22,26)
InChIKeyVHGFUCDRSXYURW-UHFFFAOYSA-N
XLogP3.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.76
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 26706927) is N-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2cccc(Cl)c2F)nn1-c1ccccc1F.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is VHGFUCDRSXYURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3O2/c1-10-9-15(25)17(23-24(10)14-8-3-2-6-12(14)20)18(26)22-13-7-4-5-11(19)16(13)21/h2-9H,1H3,(H,22,26).
What are the key properties of N-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
N-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 375.76 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 26706927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).