2-cyano-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C14H14F3N3O2 — CID 2346850

IUPAC2-cyano-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)10-1-2-12(20-5-7-22-8-6-20)11(9-10)19-13(21)3-4-18/h1-2,9H,3,5-8H2,(H,19,21)
InChIKeyGKMTYKYTFPNVJJ-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.39
Rot. Bonds3

About 2-cyano-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-cyano-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 2346850) 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-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID2346850
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name2-cyano-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C14H14F3N3O2/c15-14(16,17)10-1-2-12(20-5-7-22-8-6-20)11(9-10)19-13(21)3-4-18/h1-2,9H,3,5-8H2,(H,19,21)
InChIKeyGKMTYKYTFPNVJJ-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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Related Compounds

N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine
CID 136624
3-fluoro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1086047
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 698316
N-(3,4-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 856321
N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 953311
2-cyano-N-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]acetamide
CID 2349022
2,2,2-trichloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1310650
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2161594
N-(4-methylphenyl)-2-morpholinoacetamide
CID 687267
2-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 291811
N-(3-methylphenyl)-3-morpholin-4-ylpropanamide
CID 739956

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 2346850) is 2-cyano-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is N#CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-cyano-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GKMTYKYTFPNVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c15-14(16,17)10-1-2-12(20-5-7-22-8-6-20)11(9-10)19-13(21)3-4-18/h1-2,9H,3,5-8H2,(H,19,21).
What are the key properties of 2-cyano-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-cyano-N-[2-morpholin-4-yl-5-(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-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2346850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).