2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide

C21H19BrN4O2 — CID 16800087

IUPAC2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccccc1Br
InChIInChI=1S/C21H19BrN4O2/c22-18-4-2-1-3-17(18)21(27)23-16-7-5-15(6-8-16)19-9-10-20(25-24-19)26-11-13-28-14-12-26/h1-10H,11-14H2,(H,23,27)
InChIKeyWTIUOOFGOSGFOC-UHFFFAOYSA-N
MW439.31 g/mol
LogP3.99
Rot. Bonds4

About 2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide

2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 16800087) has the molecular formula C21H19BrN4O2 and a molecular weight of 439.31 g/mol. Its IUPAC name is 2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID16800087
Molecular FormulaC21H19BrN4O2
Molecular Weight439.31 g/mol
Exact Mass438.07
IUPAC Name2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccccc1Br
InChIInChI=1S/C21H19BrN4O2/c22-18-4-2-1-3-17(18)21(27)23-16-7-5-15(6-8-16)19-9-10-20(25-24-19)26-11-13-28-14-12-26/h1-10H,11-14H2,(H,23,27)
InChIKeyWTIUOOFGOSGFOC-UHFFFAOYSA-N
XLogP3.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41078004
5-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]furan-2-carboxamide
CID 18581271
2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
CID 1181771
2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7593337
2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 41077710
2-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593284
2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 121046314
2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077570
2-bromo-N-(3-bromo-4-morpholin-4-ylphenyl)benzamide
CID 17220671
(2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 7593356
N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815960
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 41089339

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (CID 16800087) is 2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is WTIUOOFGOSGFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O2/c22-18-4-2-1-3-17(18)21(27)23-16-7-5-15(6-8-16)19-9-10-20(25-24-19)26-11-13-28-14-12-26/h1-10H,11-14H2,(H,23,27).
What are the key properties of 2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 439.31 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 16800087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).