N-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C16H15FN2O — CID 103760902

IUPACN-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESN#Cc1cc(NC(=O)C2C3C4CCC(C4)C23)ccc1F
InChIInChI=1S/C16H15FN2O/c17-12-4-3-11(6-10(12)7-18)19-16(20)15-13-8-1-2-9(5-8)14(13)15/h3-4,6,8-9,13-15H,1-2,5H2,(H,19,20)
InChIKeyBAKRXJODEUXYKM-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.93
Rot. Bonds2

About N-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 103760902) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID103760902
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC NameN-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESN#Cc1cc(NC(=O)C2C3C4CCC(C4)C23)ccc1F
InChIInChI=1S/C16H15FN2O/c17-12-4-3-11(6-10(12)7-18)19-16(20)15-13-8-1-2-9(5-8)14(13)15/h3-4,6,8-9,13-15H,1-2,5H2,(H,19,20)
InChIKeyBAKRXJODEUXYKM-UHFFFAOYSA-N
XLogP2.93
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-cyano-4-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79208842
N-(3-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 55057825
(1S,2R,4R,5S)-N-(3-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98787879
(1R,2S,4S,5R)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98136697
(1S,2R,4R,5S)-N-(4-chlorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98252305
3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide
CID 63044726
N-(2-cyanophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 103760486
N-(3-cyano-4-fluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 63184164
(1R,2S,4R,5R)-N-(4-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98126766
N-(3-cyano-4-fluorophenyl)-2-cyclopentylacetamide
CID 62315620
2-chloro-N-(3-cyano-4-fluorophenyl)prop-2-enamide
CID 130856187
(1S,2S,4S,5S)-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 6922380

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 103760902) is N-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is N#Cc1cc(NC(=O)C2C3C4CCC(C4)C23)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is BAKRXJODEUXYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-12-4-3-11(6-10(12)7-18)19-16(20)15-13-8-1-2-9(5-8)14(13)15/h3-4,6,8-9,13-15H,1-2,5H2,(H,19,20).
What are the key properties of N-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(3-cyano-4-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 2.93, 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)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 103760902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).