N-[4-methyl-3-(5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide

C23H21F3N4O2 — CID 86296508

IUPACN-[4-methyl-3-(5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)cnn1
InChIInChI=1S/C23H21F3N4O2/c1-15-5-6-18(28-22(31)16-3-2-4-17(11-16)23(24,25)26)12-20(15)21-13-19(14-27-29-21)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,28,31)
InChIKeyQCEVVVDVWXYHGN-UHFFFAOYSA-N
MW442.44 g/mol
LogP4.56
Rot. Bonds4

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

N-[4-methyl-3-(5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 86296508) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-[4-methyl-3-(5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID86296508
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC NameN-[4-methyl-3-(5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)cnn1
InChIInChI=1S/C23H21F3N4O2/c1-15-5-6-18(28-22(31)16-3-2-4-17(11-16)23(24,25)26)12-20(15)21-13-19(14-27-29-21)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,28,31)
InChIKeyQCEVVVDVWXYHGN-UHFFFAOYSA-N
XLogP4.56
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-(5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 86296508) is N-[4-methyl-3-(5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-(5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-(5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)cnn1.
What is the InChIKey of N-[4-methyl-3-(5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QCEVVVDVWXYHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c1-15-5-6-18(28-22(31)16-3-2-4-17(11-16)23(24,25)26)12-20(15)21-13-19(14-27-29-21)30-7-9-32-10-8-30/h2-6,11-14H,7-10H2,1H3,(H,28,31).
What are the key properties of N-[4-methyl-3-(5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-(5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 442.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(5-morpholin-4-ylpyridazin-3-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 86296508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).