N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C13H21F3N2O — CID 78914957

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)C1CC2CCC1C2
InChIInChI=1S/C13H21F3N2O/c1-8(11-5-9-2-3-10(11)4-9)18-12(19)6-17-7-13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19)
InChIKeyXUQDMTIPFWWPRF-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.08
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914957) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914957
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCC(NC(=O)CNCC(F)(F)F)C1CC2CCC1C2
InChIInChI=1S/C13H21F3N2O/c1-8(11-5-9-2-3-10(11)4-9)18-12(19)6-17-7-13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19)
InChIKeyXUQDMTIPFWWPRF-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914957) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is CC(NC(=O)CNCC(F)(F)F)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is XUQDMTIPFWWPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-8(11-5-9-2-3-10(11)4-9)18-12(19)6-17-7-13(14,15)16/h8-11,17H,2-7H2,1H3,(H,18,19).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 278.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).