N-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

C19H15ClFN3O2 — CID 42161943

IUPACN-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C19H15ClFN3O2/c20-15-6-4-13(5-7-15)11-22-19(26)17-8-9-18(25)24(23-17)12-14-2-1-3-16(21)10-14/h1-10H,11-12H2,(H,22,26)
InChIKeyNWZSPWGGCUVZOD-UHFFFAOYSA-N
MW371.80 g/mol
LogP3.01
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 42161943) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID42161943
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C19H15ClFN3O2/c20-15-6-4-13(5-7-15)11-22-19(26)17-8-9-18(25)24(23-17)12-14-2-1-3-16(21)10-14/h1-10H,11-12H2,(H,22,26)
InChIKeyNWZSPWGGCUVZOD-UHFFFAOYSA-N
XLogP3.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (CID 42161943) is N-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc(=O)n(Cc2cccc(F)c2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is NWZSPWGGCUVZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c20-15-6-4-13(5-7-15)11-22-19(26)17-8-9-18(25)24(23-17)12-14-2-1-3-16(21)10-14/h1-10H,11-12H2,(H,22,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 371.80 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42161943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).