2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C19H13ClF3N3O2 — CID 7659817

IUPAC2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13ClF3N3O2/c20-14-6-4-12(5-7-14)16-8-9-18(28)26(25-16)11-17(27)24-15-3-1-2-13(10-15)19(21,22)23/h1-10H,11H2,(H,24,27)
InChIKeyDWUDPAKJZVCHSK-UHFFFAOYSA-N
MW407.78 g/mol
LogP4.22
Rot. Bonds4

About 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 7659817) has the molecular formula C19H13ClF3N3O2 and a molecular weight of 407.78 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID7659817
Molecular FormulaC19H13ClF3N3O2
Molecular Weight407.78 g/mol
Exact Mass407.06
IUPAC Name2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H13ClF3N3O2/c20-14-6-4-12(5-7-14)16-8-9-18(28)26(25-16)11-17(27)24-15-3-1-2-13(10-15)19(21,22)23/h1-10H,11H2,(H,24,27)
InChIKeyDWUDPAKJZVCHSK-UHFFFAOYSA-N
XLogP4.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.78
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 7659817) is 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DWUDPAKJZVCHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O2/c20-14-6-4-12(5-7-14)16-8-9-18(28)26(25-16)11-17(27)24-15-3-1-2-13(10-15)19(21,22)23/h1-10H,11H2,(H,24,27).
What are the key properties of 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 407.78 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7659817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).