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

C20H16BrCl2N3O2 — CID 16884822

IUPAC4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide
SMILESO=C(CCCn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H16BrCl2N3O2/c21-14-5-3-13(4-6-14)18-7-8-20(28)26(25-18)9-1-2-19(27)24-17-11-15(22)10-16(23)12-17/h3-8,10-12H,1-2,9H2,(H,24,27)
InChIKeyZBUWPRHMVPXWRT-UHFFFAOYSA-N
MW481.18 g/mol
LogP5.40
Rot. Bonds6

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

4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide (PubChem CID 16884822) has the molecular formula C20H16BrCl2N3O2 and a molecular weight of 481.18 g/mol. Its IUPAC name is 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide.

Molecular Properties

Compound Name4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide
PubChem CID16884822
Molecular FormulaC20H16BrCl2N3O2
Molecular Weight481.18 g/mol
Exact Mass478.98
IUPAC Name4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide
SMILESO=C(CCCn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H16BrCl2N3O2/c21-14-5-3-13(4-6-14)18-7-8-20(28)26(25-18)9-1-2-19(27)24-17-11-15(22)10-16(23)12-17/h3-8,10-12H,1-2,9H2,(H,24,27)
InChIKeyZBUWPRHMVPXWRT-UHFFFAOYSA-N
XLogP5.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.18
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884859
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide
CID 16884811
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)butanamide
CID 16884849
N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884702
N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884517
4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[4-(diethylamino)phenyl]butanamide
CID 16884592
N-(3,4-difluorophenyl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884903
N-(3,5-dichlorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052684
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
CID 16884953
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(2-methoxy-5-nitrophenyl)butanamide
CID 16884833
N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884468
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-(3,5-dichlorophenyl)butanamide?
The IUPAC name of 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide (CID 16884822) is 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide.
What is the SMILES notation for 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide?
The canonical SMILES for 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide is O=C(CCCn1nc(-c2ccc(Br)cc2)ccc1=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide?
The InChIKey is ZBUWPRHMVPXWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrCl2N3O2/c21-14-5-3-13(4-6-14)18-7-8-20(28)26(25-18)9-1-2-19(27)24-17-11-15(22)10-16(23)12-17/h3-8,10-12H,1-2,9H2,(H,24,27).
What are the key properties of 4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide?
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-(3,5-dichlorophenyl)butanamide has a molecular weight of 481.18 g/mol, XLogP of 5.40, 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-(3,5-dichlorophenyl)butanamide is sourced from PubChem (CID 16884822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).