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

C21H19ClN4O2 — CID 7422460

IUPAC2-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccccc1Cl
InChIInChI=1S/C21H19ClN4O2/c22-18-7-2-1-6-17(18)21(27)23-16-5-3-4-15(14-16)19-8-9-20(25-24-19)26-10-12-28-13-11-26/h1-9,14H,10-13H2,(H,23,27)
InChIKeySQGFVVXRTFPNQV-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.89
Rot. Bonds4

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

2-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 7422460) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID7422460
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name2-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccccc1Cl
InChIInChI=1S/C21H19ClN4O2/c22-18-7-2-1-6-17(18)21(27)23-16-5-3-4-15(14-16)19-8-9-20(25-24-19)26-10-12-28-13-11-26/h1-9,14H,10-13H2,(H,23,27)
InChIKeySQGFVVXRTFPNQV-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

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Related Compounds

6-[4-(2-CHLORO-5-FLUOROBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11453250
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (4-CHLOROPHENYL)AMIDE
CID 16035003
(3-Chlorophenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292483
3-chloro-N-(3-(6-(4-methylpiperazin-1-yl)pyridazin-3-yl)phenyl)benzamide
CID 7422421
N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422444
2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422445
4-methyl-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422446
4-methyl-N-(3-(6-morpholinopyridazin-3-yl)phenyl)-3-nitrobenzamide
CID 7422447
4-chloro-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422461
2,4-difluoro-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422479
4-{6-[4-(2,4-Dichlorobenzoyl)piperazin-1-yl]pyridazin-3-yl}morpholine
CID 16799796
Morpholin-4-yl-[4-(6-o-tolyl-pyridazin-3-ylamino)-phenyl]-methanone
CID 651806

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide (CID 7422460) is 2-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is SQGFVVXRTFPNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-18-7-2-1-6-17(18)21(27)23-16-5-3-4-15(14-16)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 2-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide?
2-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 2-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 7422460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).