2-cyano-N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide

C16H18F3N3O2 — CID 168520642

IUPAC2-cyano-N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC1CN(c2ccc(C(F)(F)F)cc2NC(=O)CC#N)CC(C)O1
InChIInChI=1S/C16H18F3N3O2/c1-10-8-22(9-11(2)24-10)14-4-3-12(16(17,18)19)7-13(14)21-15(23)5-6-20/h3-4,7,10-11H,5,8-9H2,1-2H3,(H,21,23)
InChIKeyALEACJXACXOVOT-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.17
Rot. Bonds3

About 2-cyano-N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide

2-cyano-N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 168520642) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-cyano-N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide
PubChem CID168520642
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name2-cyano-N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide
SMILESCC1CN(c2ccc(C(F)(F)F)cc2NC(=O)CC#N)CC(C)O1
InChIInChI=1S/C16H18F3N3O2/c1-10-8-22(9-11(2)24-10)14-4-3-12(16(17,18)19)7-13(14)21-15(23)5-6-20/h3-4,7,10-11H,5,8-9H2,1-2H3,(H,21,23)
InChIKeyALEACJXACXOVOT-UHFFFAOYSA-N
XLogP3.17
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 5299499
2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzaldehyde
CID 18455608
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 1276717
(1Z)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)anilino]-2-iminoethanimidoyl cyanide
CID 172976449
2-cyano-N-[2-iodo-4-(trifluoromethyl)phenyl]acetamide
CID 168524104
2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 168523364
3-methylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 2541397
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 3569749
N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 698325
2,6-dimethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine
CID 3911191
2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300
2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168520629

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide (CID 168520642) is 2-cyano-N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide is CC1CN(c2ccc(C(F)(F)F)cc2NC(=O)CC#N)CC(C)O1.
What is the InChIKey of 2-cyano-N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ALEACJXACXOVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-10-8-22(9-11(2)24-10)14-4-3-12(16(17,18)19)7-13(14)21-15(23)5-6-20/h3-4,7,10-11H,5,8-9H2,1-2H3,(H,21,23).
What are the key properties of 2-cyano-N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide?
2-cyano-N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 341.33 g/mol, XLogP of 3.17, 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-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 168520642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).