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

C21H19ClN4O2 — CID 7422461

IUPAC4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN4O2/c22-17-6-4-15(5-7-17)21(27)23-18-3-1-2-16(14-18)19-8-9-20(25-24-19)26-10-12-28-13-11-26/h1-9,14H,10-13H2,(H,23,27)
InChIKeyLRIWVKMILXXLJE-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.89
Rot. Bonds4

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

4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 7422461) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID7422461
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN4O2/c22-17-6-4-15(5-7-17)21(27)23-18-3-1-2-16(14-18)19-8-9-20(25-24-19)26-10-12-28-13-11-26/h1-9,14H,10-13H2,(H,23,27)
InChIKeyLRIWVKMILXXLJE-UHFFFAOYSA-N
XLogP3.89
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (CID 7422461) is 4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is LRIWVKMILXXLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-17-6-4-15(5-7-17)21(27)23-18-3-1-2-16(14-18)19-8-9-20(25-24-19)26-10-12-28-13-11-26/h1-9,14H,10-13H2,(H,23,27).
What are the key properties of 4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 394.86 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7422461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).