N-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide

C14H16F3N3O — CID 79264374

IUPACN-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCN(Cc1ccccc1C#N)C(=O)CNCC(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-2-20(13(21)8-19-10-14(15,16)17)9-12-6-4-3-5-11(12)7-18/h3-6,19H,2,8-10H2,1H3
InChIKeyJUNGCDSLNVDFFH-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.06
Rot. Bonds6

About N-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide

N-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79264374) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is N-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79264374
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC NameN-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCN(Cc1ccccc1C#N)C(=O)CNCC(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-2-20(13(21)8-19-10-14(15,16)17)9-12-6-4-3-5-11(12)7-18/h3-6,19H,2,8-10H2,1H3
InChIKeyJUNGCDSLNVDFFH-UHFFFAOYSA-N
XLogP2.06
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyanophenyl)methyl]-N-ethyl-2-(prop-2-ynylamino)acetamide
CID 79287312
ethyl N-[(2-cyanophenyl)methyl]-N-ethylcarbamate
CID 61355544
2-[(2-cyanophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60693832
2-chloro-N-[(2-cyanophenyl)methyl]-N-ethylpropanamide
CID 54875994
5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 82011067
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655924
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide
CID 60962959
N-[(2-cyanophenyl)methyl]-N-ethyl-2H-triazole-4-carboxamide
CID 47355649
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylcyclohexane-1-carboxamide
CID 60963774
N-benzyl-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914952
methyl 2-[(2-cyanophenyl)methyl-(2,2-dimethylpropanoyl)amino]acetate
CID 142473319
N-methyl-N-phenyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914951

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide (CID 79264374) is N-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide is CCN(Cc1ccccc1C#N)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is JUNGCDSLNVDFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-2-20(13(21)8-19-10-14(15,16)17)9-12-6-4-3-5-11(12)7-18/h3-6,19H,2,8-10H2,1H3.
What are the key properties of N-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 299.30 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyanophenyl)methyl]-N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79264374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).