N-(1-fluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C13H13FN2O — CID 141405539

IUPACN-(1-fluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(CF)NC(=O)c1ccc2c3[nH]c-3cc1-2
InChIInChI=1S/C13H13FN2O/c1-13(2,6-14)16-12(17)8-4-3-7-9(8)5-10-11(7)15-10/h3-5,15H,6H2,1-2H3,(H,16,17)
InChIKeyUCDRTJSBGSMCSH-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.58
Rot. Bonds3

About N-(1-fluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-(1-fluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141405539) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141405539
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(CF)NC(=O)c1ccc2c3[nH]c-3cc1-2
InChIInChI=1S/C13H13FN2O/c1-13(2,6-14)16-12(17)8-4-3-7-9(8)5-10-11(7)15-10/h3-5,15H,6H2,1-2H3,(H,16,17)
InChIKeyUCDRTJSBGSMCSH-UHFFFAOYSA-N
XLogP2.58
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292845
N-(1,1,1-trifluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292874
N-[(2S)-1-fluoro-3-methylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141349649
N-[1-(trifluoromethyl)cyclopropyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141405536
N-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141405537
N-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141405538
N-tert-butyl-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292987
N-(1-methylcyclobutyl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141405546

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141405539) is N-(1-fluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CC(C)(CF)NC(=O)c1ccc2c3[nH]c-3cc1-2.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is UCDRTJSBGSMCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-13(2,6-14)16-12(17)8-4-3-7-9(8)5-10-11(7)15-10/h3-5,15H,6H2,1-2H3,(H,16,17).
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-(1-fluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 232.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141405539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).