5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile

C15H16F3N3O2 — CID 75520261

IUPAC5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile
SMILESCC(Nc1ccc(C(F)(F)F)c(C#N)c1)C(=O)N1CCOCC1
InChIInChI=1S/C15H16F3N3O2/c1-10(14(22)21-4-6-23-7-5-21)20-12-2-3-13(15(16,17)18)11(8-12)9-19/h2-3,8,10,20H,4-7H2,1H3
InChIKeyJCSHJAXXFNEUBR-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.24
Rot. Bonds3

About 5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile

5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile (PubChem CID 75520261) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile
PubChem CID75520261
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile
SMILESCC(Nc1ccc(C(F)(F)F)c(C#N)c1)C(=O)N1CCOCC1
InChIInChI=1S/C15H16F3N3O2/c1-10(14(22)21-4-6-23-7-5-21)20-12-2-3-13(15(16,17)18)11(8-12)9-19/h2-3,8,10,20H,4-7H2,1H3
InChIKeyJCSHJAXXFNEUBR-UHFFFAOYSA-N
XLogP2.24
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-morpholin-4-yl-2-[4-(trifluoromethyl)anilino]propan-1-one
CID 43084708
5-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-2-fluorobenzonitrile
CID 62316286
5-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]pyridine-2-carbonitrile
CID 97120466
2-[4-[[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]amino]phenoxy]benzonitrile
CID 52507271
2-(3-chloro-4-fluoroanilino)-1-morpholin-4-ylpropan-1-one
CID 78907264
2-[4-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]phenyl]acetonitrile
CID 60661902
2-(3-fluoro-4-methoxyanilino)-1-morpholin-4-ylpropan-1-one
CID 43380769
2-[3-(dimethylamino)-4-methylanilino]-1-morpholin-4-ylpropan-1-one
CID 115378152
3-[3-cyano-4-(trifluoromethyl)anilino]butanamide
CID 104843918
4-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-2-chlorobenzonitrile
CID 43348090
2-fluoro-6-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]benzonitrile
CID 43580691
1-morpholin-4-yl-2-[2-nitro-4-(trifluoromethyl)anilino]propan-1-one
CID 78777112

Frequently Asked Questions

What is the IUPAC name of 5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile (CID 75520261) is 5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile is CC(Nc1ccc(C(F)(F)F)c(C#N)c1)C(=O)N1CCOCC1.
What is the InChIKey of 5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile?
The InChIKey is JCSHJAXXFNEUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-10(14(22)21-4-6-23-7-5-21)20-12-2-3-13(15(16,17)18)11(8-12)9-19/h2-3,8,10,20H,4-7H2,1H3.
What are the key properties of 5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile?
5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile has a molecular weight of 327.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 75520261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).