2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C21H19ClF3N5O3 — CID 46366653

IUPAC2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1-n1cnnc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C21H19ClF3N5O3/c22-15-2-4-19(18(10-15)30-12-26-27-13-30)33-11-20(31)28-16-9-14(21(23,24)25)1-3-17(16)29-5-7-32-8-6-29/h1-4,9-10,12-13H,5-8,11H2,(H,28,31)
InChIKeyXSFCCNUJHCFDOW-UHFFFAOYSA-N
MW481.86 g/mol
LogP3.79
Rot. Bonds6

About 2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 46366653) has the molecular formula C21H19ClF3N5O3 and a molecular weight of 481.86 g/mol. Its IUPAC name is 2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID46366653
Molecular FormulaC21H19ClF3N5O3
Molecular Weight481.86 g/mol
Exact Mass481.11
IUPAC Name2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1-n1cnnc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C21H19ClF3N5O3/c22-15-2-4-19(18(10-15)30-12-26-27-13-30)33-11-20(31)28-16-9-14(21(23,24)25)1-3-17(16)29-5-7-32-8-6-29/h1-4,9-10,12-13H,5-8,11H2,(H,28,31)
InChIKeyXSFCCNUJHCFDOW-UHFFFAOYSA-N
XLogP3.79
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.86
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(5-chloro-2-morpholin-4-ylphenyl)acetamide
CID 3467178
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17117721
2-(4-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7892012
2-(4-methylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2161692
2-(4-ethoxyphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16546340
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7892006
2-(4-ethylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3921183
2-(3-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7551397
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
2-(2-chlorophenoxy)-N-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]carbamothioyl]acetamide
CID 5089221
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide
CID 2548899

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 46366653) is 2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is O=C(COc1ccc(Cl)cc1-n1cnnc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XSFCCNUJHCFDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N5O3/c22-15-2-4-19(18(10-15)30-12-26-27-13-30)33-11-20(31)28-16-9-14(21(23,24)25)1-3-17(16)29-5-7-32-8-6-29/h1-4,9-10,12-13H,5-8,11H2,(H,28,31).
What are the key properties of 2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 481.86 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(1,2,4-triazol-4-yl)phenoxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 46366653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).