3-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide

C21H19FN4O — CID 7593285

IUPAC3-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1cccc(F)c1
InChIInChI=1S/C21H19FN4O/c22-17-5-3-4-16(14-17)21(27)23-18-8-6-15(7-9-18)19-10-11-20(25-24-19)26-12-1-2-13-26/h3-11,14H,1-2,12-13H2,(H,23,27)
InChIKeyTYDVHQXWHDXILE-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.14
Rot. Bonds4

About 3-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide

3-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 7593285) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 3-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID7593285
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name3-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1cccc(F)c1
InChIInChI=1S/C21H19FN4O/c22-17-5-3-4-16(14-17)21(27)23-18-8-6-15(7-9-18)19-10-11-20(25-24-19)26-12-1-2-13-26/h3-11,14H,1-2,12-13H2,(H,23,27)
InChIKeyTYDVHQXWHDXILE-UHFFFAOYSA-N
XLogP4.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide (CID 7593285) is 3-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide is O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is TYDVHQXWHDXILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c22-17-5-3-4-16(14-17)21(27)23-18-8-6-15(7-9-18)19-10-11-20(25-24-19)26-12-1-2-13-26/h3-11,14H,1-2,12-13H2,(H,23,27).
What are the key properties of 3-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide?
3-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 362.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7593285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).