methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]-4-morpholin-4-ylbenzoate

C15H17F3N2O4 — CID 58805174

IUPACmethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]-4-morpholin-4-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCOCC2)cc1N(C)C(=O)C(F)(F)F
InChIInChI=1S/C15H17F3N2O4/c1-19(14(22)15(16,17)18)12-9-10(20-5-7-24-8-6-20)3-4-11(12)13(21)23-2/h3-4,9H,5-8H2,1-2H3
InChIKeyRWWVZXFHUPFUPR-UHFFFAOYSA-N
MW346.31 g/mol
LogP1.83
Rot. Bonds3

About methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]-4-morpholin-4-ylbenzoate

methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]-4-morpholin-4-ylbenzoate (PubChem CID 58805174) has the molecular formula C15H17F3N2O4 and a molecular weight of 346.31 g/mol. Its IUPAC name is methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]-4-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]-4-morpholin-4-ylbenzoate
PubChem CID58805174
Molecular FormulaC15H17F3N2O4
Molecular Weight346.31 g/mol
Exact Mass346.11
IUPAC Namemethyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]-4-morpholin-4-ylbenzoate
SMILESCOC(=O)c1ccc(N2CCOCC2)cc1N(C)C(=O)C(F)(F)F
InChIInChI=1S/C15H17F3N2O4/c1-19(14(22)15(16,17)18)12-9-10(20-5-7-24-8-6-20)3-4-11(12)13(21)23-2/h3-4,9H,5-8H2,1-2H3
InChIKeyRWWVZXFHUPFUPR-UHFFFAOYSA-N
XLogP1.83
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]-4-morpholin-4-ylbenzoate?
The IUPAC name of methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]-4-morpholin-4-ylbenzoate (CID 58805174) is methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]-4-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]-4-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]-4-morpholin-4-ylbenzoate is COC(=O)c1ccc(N2CCOCC2)cc1N(C)C(=O)C(F)(F)F.
What is the InChIKey of methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]-4-morpholin-4-ylbenzoate?
The InChIKey is RWWVZXFHUPFUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O4/c1-19(14(22)15(16,17)18)12-9-10(20-5-7-24-8-6-20)3-4-11(12)13(21)23-2/h3-4,9H,5-8H2,1-2H3.
What are the key properties of methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]-4-morpholin-4-ylbenzoate?
methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]-4-morpholin-4-ylbenzoate has a molecular weight of 346.31 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]-4-morpholin-4-ylbenzoate is sourced from PubChem (CID 58805174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).