N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide

C23H18F6N4O2 — CID 41077695

IUPACN-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C23H18F6N4O2/c24-22(25,26)16-10-15(11-17(13-16)23(27,28)29)21(34)30-18-3-1-2-14(12-18)19-4-5-20(32-31-19)33-6-8-35-9-7-33/h1-5,10-13H,6-9H2,(H,30,34)
InChIKeyQKIIJWZBULMPAD-UHFFFAOYSA-N
MW496.41 g/mol
LogP5.27
Rot. Bonds4

About N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide

N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 41077695) has the molecular formula C23H18F6N4O2 and a molecular weight of 496.41 g/mol. Its IUPAC name is N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID41077695
Molecular FormulaC23H18F6N4O2
Molecular Weight496.41 g/mol
Exact Mass496.13
IUPAC NameN-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C23H18F6N4O2/c24-22(25,26)16-10-15(11-17(13-16)23(27,28)29)21(34)30-18-3-1-2-14(12-18)19-4-5-20(32-31-19)33-6-8-35-9-7-33/h1-5,10-13H,6-9H2,(H,30,34)
InChIKeyQKIIJWZBULMPAD-UHFFFAOYSA-N
XLogP5.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.41
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 41077791
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]-4-nitrobenzamide
CID 7422468
1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 43991972
N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815960
2-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7422439
4-fluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593222
1-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 43992106
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
2-ethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422477

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide (CID 41077695) is N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is QKIIJWZBULMPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F6N4O2/c24-22(25,26)16-10-15(11-17(13-16)23(27,28)29)21(34)30-18-3-1-2-14(12-18)19-4-5-20(32-31-19)33-6-8-35-9-7-33/h1-5,10-13H,6-9H2,(H,30,34).
What are the key properties of N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide?
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 496.41 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 41077695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).