N-(3-chlorophenyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

C14H11ClF3N3O2 — CID 71978534

IUPACN-(3-chlorophenyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)N(CC(F)(F)F)c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C14H11ClF3N3O2/c1-20-12(22)6-5-11(19-20)13(23)21(8-14(16,17)18)10-4-2-3-9(15)7-10/h2-7H,8H2,1H3
InChIKeyOCHUZUSIGNIGLK-UHFFFAOYSA-N
MW345.71 g/mol
LogP2.64
Rot. Bonds3

About N-(3-chlorophenyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

N-(3-chlorophenyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (PubChem CID 71978534) has the molecular formula C14H11ClF3N3O2 and a molecular weight of 345.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
PubChem CID71978534
Molecular FormulaC14H11ClF3N3O2
Molecular Weight345.71 g/mol
Exact Mass345.05
IUPAC NameN-(3-chlorophenyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)N(CC(F)(F)F)c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C14H11ClF3N3O2/c1-20-12(22)6-5-11(19-20)13(23)21(8-14(16,17)18)10-4-2-3-9(15)7-10/h2-7H,8H2,1H3
InChIKeyOCHUZUSIGNIGLK-UHFFFAOYSA-N
XLogP2.64
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (CID 71978534) is N-(3-chlorophenyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is Cn1nc(C(=O)N(CC(F)(F)F)c2cccc(Cl)c2)ccc1=O.
What is the InChIKey of N-(3-chlorophenyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The InChIKey is OCHUZUSIGNIGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O2/c1-20-12(22)6-5-11(19-20)13(23)21(8-14(16,17)18)10-4-2-3-9(15)7-10/h2-7H,8H2,1H3.
What are the key properties of N-(3-chlorophenyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
N-(3-chlorophenyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide has a molecular weight of 345.71 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 71978534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).