3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide

C16H19FN2O2 — CID 166285453

IUPAC3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
SMILESNC(=O)c1ccc(F)c(C(=O)NCCC2CCC3CC23)c1
InChIInChI=1S/C16H19FN2O2/c17-14-4-3-11(15(18)20)8-13(14)16(21)19-6-5-9-1-2-10-7-12(9)10/h3-4,8-10,12H,1-2,5-7H2,(H2,18,20)(H,19,21)
InChIKeyQBSSZISOAFLEIM-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.09
Rot. Bonds5

About 3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide

3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide (PubChem CID 166285453) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
PubChem CID166285453
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide
SMILESNC(=O)c1ccc(F)c(C(=O)NCCC2CCC3CC23)c1
InChIInChI=1S/C16H19FN2O2/c17-14-4-3-11(15(18)20)8-13(14)16(21)19-6-5-9-1-2-10-7-12(9)10/h3-4,8-10,12H,1-2,5-7H2,(H2,18,20)(H,19,21)
InChIKeyQBSSZISOAFLEIM-UHFFFAOYSA-N
XLogP2.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide (CID 166285453) is 3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide is NC(=O)c1ccc(F)c(C(=O)NCCC2CCC3CC23)c1.
What is the InChIKey of 3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide?
The InChIKey is QBSSZISOAFLEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-14-4-3-11(15(18)20)8-13(14)16(21)19-6-5-9-1-2-10-7-12(9)10/h3-4,8-10,12H,1-2,5-7H2,(H2,18,20)(H,19,21).
What are the key properties of 3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide?
3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-bicyclo[3.1.0]hexanyl)ethyl]-4-fluorobenzene-1,3-dicarboxamide is sourced from PubChem (CID 166285453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).