N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide

C13H15FN2O — CID 81466790

IUPACN-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESNc1ccc(F)c(NC(=O)C2C3CCCC32)c1
InChIInChI=1S/C13H15FN2O/c14-10-5-4-7(15)6-11(10)16-13(17)12-8-2-1-3-9(8)12/h4-6,8-9,12H,1-3,15H2,(H,16,17)
InChIKeyGAILOKBSYGBPIZ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.39
Rot. Bonds2

About N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide

N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 81466790) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID81466790
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC NameN-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESNc1ccc(F)c(NC(=O)C2C3CCCC32)c1
InChIInChI=1S/C13H15FN2O/c14-10-5-4-7(15)6-11(10)16-13(17)12-8-2-1-3-9(8)12/h4-6,8-9,12H,1-3,15H2,(H,16,17)
InChIKeyGAILOKBSYGBPIZ-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide
CID 64766487
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CID 62116142
1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
CID 16777424
N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43600078
N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79751128
N-(2-amino-5-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 112557420
N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79139023
N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 43600111
N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60884491
N-(4-chloro-2-iodophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103766784
4-amino-2-chloro-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]benzamide
CID 119711617
N-(5-amino-2-fluorophenyl)-2-(cyclopentylmethylsulfonyl)acetamide
CID 63119729

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 81466790) is N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide is Nc1ccc(F)c(NC(=O)C2C3CCCC32)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is GAILOKBSYGBPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-10-5-4-7(15)6-11(10)16-13(17)12-8-2-1-3-9(8)12/h4-6,8-9,12H,1-3,15H2,(H,16,17).
What are the key properties of N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 234.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 81466790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).