N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide

C20H18BrN3O2 — CID 16884517

IUPACN-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1cccc(Br)c1
InChIInChI=1S/C20H18BrN3O2/c21-16-8-4-9-17(14-16)22-19(25)10-5-13-24-20(26)12-11-18(23-24)15-6-2-1-3-7-15/h1-4,6-9,11-12,14H,5,10,13H2,(H,22,25)
InChIKeyMXOGYFBEQSONBG-UHFFFAOYSA-N
MW412.29 g/mol
LogP4.09
Rot. Bonds6

About N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide

N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide (PubChem CID 16884517) has the molecular formula C20H18BrN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
PubChem CID16884517
Molecular FormulaC20H18BrN3O2
Molecular Weight412.29 g/mol
Exact Mass411.06
IUPAC NameN-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
SMILESO=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1cccc(Br)c1
InChIInChI=1S/C20H18BrN3O2/c21-16-8-4-9-17(14-16)22-19(25)10-5-13-24-20(26)12-11-18(23-24)15-6-2-1-3-7-15/h1-4,6-9,11-12,14H,5,10,13H2,(H,22,25)
InChIKeyMXOGYFBEQSONBG-UHFFFAOYSA-N
XLogP4.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884468
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
CID 16884953
N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884702
N-(4-methoxyphenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884439
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-(trifluoromethyl)phenyl]butanamide
CID 16884961
N-(2,4-difluorophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884434
4-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[4-(dimethylamino)phenyl]butanamide
CID 16884811
N-(3,4-difluorophenyl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884903
N-(4-methylphenyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 91061296
N-(1,3-benzothiazol-2-yl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884456

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The IUPAC name of N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide (CID 16884517) is N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide.
What is the SMILES notation for N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The canonical SMILES for N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide is O=C(CCCn1nc(-c2ccccc2)ccc1=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
The InChIKey is MXOGYFBEQSONBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O2/c21-16-8-4-9-17(14-16)22-19(25)10-5-13-24-20(26)12-11-18(23-24)15-6-2-1-3-7-15/h1-4,6-9,11-12,14H,5,10,13H2,(H,22,25).
What are the key properties of N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide?
N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide has a molecular weight of 412.29 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide is sourced from PubChem (CID 16884517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).