N-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide

C15H15FN2O — CID 55057825

IUPACN-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESN#Cc1cc(NC(=O)C2CC3CCC2C3)ccc1F
InChIInChI=1S/C15H15FN2O/c16-14-4-3-12(7-11(14)8-17)18-15(19)13-6-9-1-2-10(13)5-9/h3-4,7,9-10,13H,1-2,5-6H2,(H,18,19)
InChIKeyAJIWCCHSLQCMNQ-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.07
Rot. Bonds2

About N-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 55057825) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID55057825
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESN#Cc1cc(NC(=O)C2CC3CCC2C3)ccc1F
InChIInChI=1S/C15H15FN2O/c16-14-4-3-12(7-11(14)8-17)18-15(19)13-6-9-1-2-10(13)5-9/h3-4,7,9-10,13H,1-2,5-6H2,(H,18,19)
InChIKeyAJIWCCHSLQCMNQ-UHFFFAOYSA-N
XLogP3.07
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 55057825) is N-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide is N#Cc1cc(NC(=O)C2CC3CCC2C3)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is AJIWCCHSLQCMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-14-4-3-12(7-11(14)8-17)18-15(19)13-6-9-1-2-10(13)5-9/h3-4,7,9-10,13H,1-2,5-6H2,(H,18,19).
What are the key properties of N-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 55057825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).