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

C14H23FN2O — CID 167110644

IUPAC3-amino-N-[1-(2-fluoroethyl)cyclobutyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NC1(CCF)CCC1
InChIInChI=1S/C14H23FN2O/c15-7-6-14(4-1-5-14)17-13(18)11-9-2-3-10(8-9)12(11)16/h9-12H,1-8,16H2,(H,17,18)
InChIKeyPEKIICJEIPNICI-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.76
Rot. Bonds4

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

3-amino-N-[1-(2-fluoroethyl)cyclobutyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 167110644) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 3-amino-N-[1-(2-fluoroethyl)cyclobutyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2-fluoroethyl)cyclobutyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID167110644
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name3-amino-N-[1-(2-fluoroethyl)cyclobutyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NC1(CCF)CCC1
InChIInChI=1S/C14H23FN2O/c15-7-6-14(4-1-5-14)17-13(18)11-9-2-3-10(8-9)12(11)16/h9-12H,1-8,16H2,(H,17,18)
InChIKeyPEKIICJEIPNICI-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.76
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-(2-fluoroethyl)cyclobutyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(2-fluoroethyl)cyclobutyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 167110644) is 3-amino-N-[1-(2-fluoroethyl)cyclobutyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2-fluoroethyl)cyclobutyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2-fluoroethyl)cyclobutyl]bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NC1(CCF)CCC1.
What is the InChIKey of 3-amino-N-[1-(2-fluoroethyl)cyclobutyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is PEKIICJEIPNICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c15-7-6-14(4-1-5-14)17-13(18)11-9-2-3-10(8-9)12(11)16/h9-12H,1-8,16H2,(H,17,18).
What are the key properties of 3-amino-N-[1-(2-fluoroethyl)cyclobutyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[1-(2-fluoroethyl)cyclobutyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 254.35 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-fluoroethyl)cyclobutyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 167110644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).