3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide

C17H21F3N2O — CID 119686309

IUPAC3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(NC(=O)C1C2CCC(C2)C1N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H21F3N2O/c1-9(10-3-2-4-13(8-10)17(18,19)20)22-16(23)14-11-5-6-12(7-11)15(14)21/h2-4,8-9,11-12,14-15H,5-7,21H2,1H3,(H,22,23)
InChIKeyIKLLHVMLVUISTG-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.26
Rot. Bonds3

About 3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119686309) has the molecular formula C17H21F3N2O and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119686309
Molecular FormulaC17H21F3N2O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(NC(=O)C1C2CCC(C2)C1N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H21F3N2O/c1-9(10-3-2-4-13(8-10)17(18,19)20)22-16(23)14-11-5-6-12(7-11)15(14)21/h2-4,8-9,11-12,14-15H,5-7,21H2,1H3,(H,22,23)
InChIKeyIKLLHVMLVUISTG-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686308
3-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119706887
3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119669695
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 66009151
3-amino-N-[1-[3-(methylsulfamoyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119771212
cis-(1S,2R)-2-methyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 51968750
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056
3-amino-N-[(1S)-1-pyridin-3-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81404200
3-amino-N-[1-(4-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119705788
3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119778488
3-amino-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119722000
3-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119736207

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119686309) is 3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide is CC(NC(=O)C1C2CCC(C2)C1N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is IKLLHVMLVUISTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O/c1-9(10-3-2-4-13(8-10)17(18,19)20)22-16(23)14-11-5-6-12(7-11)15(14)21/h2-4,8-9,11-12,14-15H,5-7,21H2,1H3,(H,22,23).
What are the key properties of 3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119686309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).