3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

C14H21F3N2O — CID 167110787

IUPAC3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC1(C(F)(F)F)CCC1
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)13(4-1-5-13)7-19-12(20)10-8-2-3-9(6-8)11(10)18/h8-11H,1-7,18H2,(H,19,20)
InChIKeyONDSWFBQSORMNZ-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.21
Rot. Bonds3

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

3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 167110787) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID167110787
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCC1(C(F)(F)F)CCC1
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)13(4-1-5-13)7-19-12(20)10-8-2-3-9(6-8)11(10)18/h8-11H,1-7,18H2,(H,19,20)
InChIKeyONDSWFBQSORMNZ-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 167110787) is 3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NCC1(C(F)(F)F)CCC1.
What is the InChIKey of 3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ONDSWFBQSORMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c15-14(16,17)13(4-1-5-13)7-19-12(20)10-8-2-3-9(6-8)11(10)18/h8-11H,1-7,18H2,(H,19,20).
What are the key properties of 3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 2.21, 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-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 167110787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).