2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide

C14H14F3N3O2 — CID 2349022

IUPAC2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(C(F)(F)F)cc1N1CCOCC1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)10-1-2-11(19-13(21)3-4-18)12(9-10)20-5-7-22-8-6-20/h1-2,9H,3,5-8H2,(H,19,21)
InChIKeyTZISVHSOXZOJGY-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.39
Rot. Bonds3

About 2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide

2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 2349022) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide
PubChem CID2349022
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1ccc(C(F)(F)F)cc1N1CCOCC1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)10-1-2-11(19-13(21)3-4-18)12(9-10)20-5-7-22-8-6-20/h1-2,9H,3,5-8H2,(H,19,21)
InChIKeyTZISVHSOXZOJGY-UHFFFAOYSA-N
XLogP2.39
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide (CID 2349022) is 2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide is N#CCC(=O)Nc1ccc(C(F)(F)F)cc1N1CCOCC1.
What is the InChIKey of 2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is TZISVHSOXZOJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c15-14(16,17)10-1-2-11(19-13(21)3-4-18)12(9-10)20-5-7-22-8-6-20/h1-2,9H,3,5-8H2,(H,19,21).
What are the key properties of 2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide?
2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 313.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2349022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).