N-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C13H14F3N3O — CID 78958173

IUPACN-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)c1ccc(C#N)cc1
InChIInChI=1S/C13H14F3N3O/c1-9(11-4-2-10(6-17)3-5-11)19-12(20)7-18-8-13(14,15)16/h2-5,9,18H,7-8H2,1H3,(H,19,20)
InChIKeySDVFDHZZSHSJJP-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.89
Rot. Bonds5

About N-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958173) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958173
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC NameN-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)c1ccc(C#N)cc1
InChIInChI=1S/C13H14F3N3O/c1-9(11-4-2-10(6-17)3-5-11)19-12(20)7-18-8-13(14,15)16/h2-5,9,18H,7-8H2,1H3,(H,19,20)
InChIKeySDVFDHZZSHSJJP-UHFFFAOYSA-N
XLogP1.89
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914722
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81364541
N-[1-(4-cyanophenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79286223
N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide
CID 47161785
2-bromo-N-[1-(4-cyanophenyl)ethyl]acetamide
CID 63680255
3-chloro-N-[1-(4-cyanophenyl)ethyl]propanamide
CID 43698287
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
5-[1-(4-cyanophenyl)ethylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62932844
2-(4-cyanophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 62403132
4-chloro-N-[1-(4-cyanophenyl)ethyl]butanamide
CID 63307623
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81376338
N-[1-(4-cyanophenyl)ethyl]octanamide
CID 134035112

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958173) is N-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC(NC(=O)CNCC(F)(F)F)c1ccc(C#N)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is SDVFDHZZSHSJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-9(11-4-2-10(6-17)3-5-11)19-12(20)7-18-8-13(14,15)16/h2-5,9,18H,7-8H2,1H3,(H,19,20).
What are the key properties of N-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 285.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).