N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide

C21H19ClN4O2 — CID 50815960

IUPACN-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C21H19ClN4O2/c22-17-4-6-18(7-5-17)23-21(27)16-3-1-2-15(14-16)19-8-9-20(25-24-19)26-10-12-28-13-11-26/h1-9,14H,10-13H2,(H,23,27)
InChIKeyWWIXNABQJHNWDE-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.89
Rot. Bonds4

About N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide

N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide (PubChem CID 50815960) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
PubChem CID50815960
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC NameN-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C21H19ClN4O2/c22-17-4-6-18(7-5-17)23-21(27)16-3-1-2-15(14-16)19-8-9-20(25-24-19)26-10-12-28-13-11-26/h1-9,14H,10-13H2,(H,23,27)
InChIKeyWWIXNABQJHNWDE-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

4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422461
3,4-dichloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 41077699
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
N-(4-chlorophenyl)-6-morpholin-4-ylpyridazine-3-carboxamide
CID 109114542
2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7593337
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 41077695
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 50816257
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-4-nitrobenzamide
CID 7422468
N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 50816225
N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815991
3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide
CID 50816215
N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 46375078

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide?
The IUPAC name of N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide (CID 50815960) is N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide is O=C(Nc1ccc(Cl)cc1)c1cccc(-c2ccc(N3CCOCC3)nn2)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide?
The InChIKey is WWIXNABQJHNWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-17-4-6-18(7-5-17)23-21(27)16-3-1-2-15(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 N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide?
N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)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 N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide is sourced from PubChem (CID 50815960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).