4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide

C20H16BrF2N3O2 — CID 16884849

IUPAC4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide
SMILESO=C(CCCn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1cc(F)ccc1F
InChIInChI=1S/C20H16BrF2N3O2/c21-14-5-3-13(4-6-14)17-9-10-20(28)26(25-17)11-1-2-19(27)24-18-12-15(22)7-8-16(18)23/h3-10,12H,1-2,11H2,(H,24,27)
InChIKeyLTLJIQCOLLCXGR-UHFFFAOYSA-N
MW448.27 g/mol
LogP4.37
Rot. Bonds6

About 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide

4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide (PubChem CID 16884849) has the molecular formula C20H16BrF2N3O2 and a molecular weight of 448.27 g/mol. Its IUPAC name is 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide.

Molecular Properties

Compound Name4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide
PubChem CID16884849
Molecular FormulaC20H16BrF2N3O2
Molecular Weight448.27 g/mol
Exact Mass447.04
IUPAC Name4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide
SMILESO=C(CCCn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1cc(F)ccc1F
InChIInChI=1S/C20H16BrF2N3O2/c21-14-5-3-13(4-6-14)17-9-10-20(28)26(25-17)11-1-2-19(27)24-18-12-15(22)7-8-16(18)23/h3-10,12H,1-2,11H2,(H,24,27)
InChIKeyLTLJIQCOLLCXGR-UHFFFAOYSA-N
XLogP4.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.27
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884434
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
N-(3,4-difluorophenyl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884903
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide
CID 16884822
N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884859
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
CID 16884953
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2-chloro-4-fluorophenyl)acetamide
CID 46923313
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide
CID 16884867
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide
CID 16884811
N-(4-bromo-2-fluorophenyl)-2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46923283
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)butanamide
CID 16884833
4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
CID 16885013

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide?
The IUPAC name of 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide (CID 16884849) is 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide.
What is the SMILES notation for 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide?
The canonical SMILES for 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide is O=C(CCCn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1cc(F)ccc1F.
What is the InChIKey of 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide?
The InChIKey is LTLJIQCOLLCXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrF2N3O2/c21-14-5-3-13(4-6-14)17-9-10-20(28)26(25-17)11-1-2-19(27)24-18-12-15(22)7-8-16(18)23/h3-10,12H,1-2,11H2,(H,24,27).
What are the key properties of 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide?
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide has a molecular weight of 448.27 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide is sourced from PubChem (CID 16884849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).