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

C21H18F2N4O2 — CID 7593337

IUPAC2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1c(F)cccc1F
InChIInChI=1S/C21H18F2N4O2/c22-16-2-1-3-17(23)20(16)21(28)24-15-6-4-14(5-7-15)18-8-9-19(26-25-18)27-10-12-29-13-11-27/h1-9H,10-13H2,(H,24,28)
InChIKeyNGDGZDCTXBXIAD-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.51
Rot. Bonds4

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

2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 7593337) has the molecular formula C21H18F2N4O2 and a molecular weight of 396.40 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID7593337
Molecular FormulaC21H18F2N4O2
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1c(F)cccc1F
InChIInChI=1S/C21H18F2N4O2/c22-16-2-1-3-17(23)20(16)21(28)24-15-6-4-14(5-7-15)18-8-9-19(26-25-18)27-10-12-29-13-11-27/h1-9H,10-13H2,(H,24,28)
InChIKeyNGDGZDCTXBXIAD-UHFFFAOYSA-N
XLogP3.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 16800087
N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815960
2-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593284
5-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]furan-2-carboxamide
CID 18581271
1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43992816
2-(3-methylphenyl)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7593368
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422461
N-(2,6-difluorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114612
(2S)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-2-phenylbutanamide
CID 7593356
N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
2-(4-methylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992749

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (CID 7593337) is 2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is NGDGZDCTXBXIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2/c22-16-2-1-3-17(23)20(16)21(28)24-15-6-4-14(5-7-15)18-8-9-19(26-25-18)27-10-12-29-13-11-27/h1-9H,10-13H2,(H,24,28).
What are the key properties of 2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 396.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7593337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).