N-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide

C14H14F3N3O2 — CID 91677372

IUPACN-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1ccc(N2CCOCC2)c(C#N)c1
InChIInChI=1S/C14H14F3N3O2/c1-19(13(21)14(15,16)17)11-2-3-12(10(8-11)9-18)20-4-6-22-7-5-20/h2-3,8H,4-7H2,1H3
InChIKeyDBCWGVYROIHRRF-UHFFFAOYSA-N
MW313.28 g/mol
LogP1.92
Rot. Bonds2

About N-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide

N-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 91677372) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID91677372
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1ccc(N2CCOCC2)c(C#N)c1
InChIInChI=1S/C14H14F3N3O2/c1-19(13(21)14(15,16)17)11-2-3-12(10(8-11)9-18)20-4-6-22-7-5-20/h2-3,8H,4-7H2,1H3
InChIKeyDBCWGVYROIHRRF-UHFFFAOYSA-N
XLogP1.92
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-2-ynyl 5-[methyl-(2,2,2-trifluoroacetyl)amino]-2-morpholin-4-ylbenzoate
CID 91677222
N-[3-cyano-4-(dimethylamino)phenyl]-2,2,2-trifluoro-N-methylacetamide
CID 91677367
methyl 3-cyano-4-morpholin-4-ylbenzoate
CID 155293483
N-(3-chloro-4-morpholin-4-ylphenyl)-N-ethyl-2,2,2-trifluoroacetamide
CID 91677749
5-bromo-2-fluorobenzonitrile;5-bromo-2-morpholin-4-ylbenzonitrile
CID 162241536
methyl 2-(4-methylpiperidin-1-yl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzoate
CID 91677120
ethyl 2-(4-ethylpiperazin-1-yl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzoate
CID 91677183
(2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid
CID 18548746
2-morpholin-4-ylbenzonitrile
CID 2737012
prop-2-enyl 2-(4-methylpiperazin-1-yl)-5-[methyl-(2,2,2-trifluoroacetyl)amino]benzoate
CID 91677188
[4-(dimethylamino)phenyl]-(4-morpholin-4-ylphenyl)methanone
CID 101130657
5-deuterio-2-morpholin-4-ylbenzonitrile
CID 164675925

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide (CID 91677372) is N-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)c1ccc(N2CCOCC2)c(C#N)c1.
What is the InChIKey of N-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is DBCWGVYROIHRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-19(13(21)14(15,16)17)11-2-3-12(10(8-11)9-18)20-4-6-22-7-5-20/h2-3,8H,4-7H2,1H3.
What are the key properties of N-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide?
N-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 313.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-morpholin-4-ylphenyl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 91677372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).