4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide

C21H19ClFN3O2 — CID 16884631

IUPAC4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
SMILESO=C(CCCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H19ClFN3O2/c22-17-7-5-16(6-8-17)19-11-12-21(28)26(25-19)13-1-2-20(27)24-14-15-3-9-18(23)10-4-15/h3-12H,1-2,13-14H2,(H,24,27)
InChIKeyWEXCJEZQUHIPIF-UHFFFAOYSA-N
MW399.85 g/mol
LogP3.80
Rot. Bonds7

About 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide

4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide (PubChem CID 16884631) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
PubChem CID16884631
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC Name4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
SMILESO=C(CCCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccc(F)cc1
InChIInChI=1S/C21H19ClFN3O2/c22-17-7-5-16(6-8-17)19-11-12-21(28)26(25-19)13-1-2-20(27)24-14-15-3-9-18(23)10-4-15/h3-12H,1-2,13-14H2,(H,24,27)
InChIKeyWEXCJEZQUHIPIF-UHFFFAOYSA-N
XLogP3.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide (CID 16884631) is 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide is O=C(CCCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccc(F)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide?
The InChIKey is WEXCJEZQUHIPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c22-17-7-5-16(6-8-17)19-11-12-21(28)26(25-19)13-1-2-20(27)24-14-15-3-9-18(23)10-4-15/h3-12H,1-2,13-14H2,(H,24,27).
What are the key properties of 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide?
4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide has a molecular weight of 399.85 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 16884631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).