N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C12H19F3N2O — CID 78958146

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1CC2CCC1C2
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)7-16-6-11(18)17-5-10-4-8-1-2-9(10)3-8/h8-10,16H,1-7H2,(H,17,18)
InChIKeyIHLBGGMSCKUIEC-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.69
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958146) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958146
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC1CC2CCC1C2
InChIInChI=1S/C12H19F3N2O/c13-12(14,15)7-16-6-11(18)17-5-10-4-8-1-2-9(10)3-8/h8-10,16H,1-7H2,(H,17,18)
InChIKeyIHLBGGMSCKUIEC-UHFFFAOYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958146) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is IHLBGGMSCKUIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c13-12(14,15)7-16-6-11(18)17-5-10-4-8-1-2-9(10)3-8/h8-10,16H,1-7H2,(H,17,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 264.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).