N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide

C21H19F3N4O3 — CID 2548899

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide
SMILESO=C(COc1nncc2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C21H19F3N4O3/c22-21(23,24)15-5-6-18(28-7-9-30-10-8-28)17(11-15)26-19(29)13-31-20-16-4-2-1-3-14(16)12-25-27-20/h1-6,11-12H,7-10,13H2,(H,26,29)
InChIKeyYWPULKWNJYMWAH-UHFFFAOYSA-N
MW432.40 g/mol
LogP3.50
Rot. Bonds5

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide (PubChem CID 2548899) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide
PubChem CID2548899
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide
SMILESO=C(COc1nncc2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C21H19F3N4O3/c22-21(23,24)15-5-6-18(28-7-9-30-10-8-28)17(11-15)26-19(29)13-31-20-16-4-2-1-3-14(16)12-25-27-20/h1-6,11-12H,7-10,13H2,(H,26,29)
InChIKeyYWPULKWNJYMWAH-UHFFFAOYSA-N
XLogP3.50
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] naphthalene-1-carboxylate
CID 2437347
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-naphthalen-1-ylsulfanylacetamide
CID 39923349
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 7892006
2-(4-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7892012
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
2-(4-ethoxyphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16546340
2-(4-methylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2161692
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 4831200
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetamide
CID 17117721
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 2365764
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 16508845

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide (CID 2548899) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide is O=C(COc1nncc2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide?
The InChIKey is YWPULKWNJYMWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c22-21(23,24)15-5-6-18(28-7-9-30-10-8-28)17(11-15)26-19(29)13-31-20-16-4-2-1-3-14(16)12-25-27-20/h1-6,11-12H,7-10,13H2,(H,26,29).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide has a molecular weight of 432.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-phthalazin-1-yloxyacetamide is sourced from PubChem (CID 2548899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).