N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C16H17F3N2O4 — CID 17443379

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1=COCCO1
InChIInChI=1S/C16H17F3N2O4/c17-16(18,19)11-1-2-13(21-3-5-23-6-4-21)12(9-11)20-15(22)14-10-24-7-8-25-14/h1-2,9-10H,3-8H2,(H,20,22)
InChIKeyNJMXEDDIICFGBP-UHFFFAOYSA-N
MW358.32 g/mol
LogP2.37
Rot. Bonds3

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 17443379) has the molecular formula C16H17F3N2O4 and a molecular weight of 358.32 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID17443379
Molecular FormulaC16H17F3N2O4
Molecular Weight358.32 g/mol
Exact Mass358.11
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1=COCCO1
InChIInChI=1S/C16H17F3N2O4/c17-16(18,19)11-1-2-13(21-3-5-23-6-4-21)12(9-11)20-15(22)14-10-24-7-8-25-14/h1-2,9-10H,3-8H2,(H,20,22)
InChIKeyNJMXEDDIICFGBP-UHFFFAOYSA-N
XLogP2.37
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 17443379) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C1=COCCO1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is NJMXEDDIICFGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O4/c17-16(18,19)11-1-2-13(21-3-5-23-6-4-21)12(9-11)20-15(22)14-10-24-7-8-25-14/h1-2,9-10H,3-8H2,(H,20,22).
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 17443379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).