N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C14H15FN2O — CID 43600111

IUPACN-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNc1ccc(F)c(NC(=O)C2CC3C=CC2C3)c1
InChIInChI=1S/C14H15FN2O/c15-12-4-3-10(16)7-13(12)17-14(18)11-6-8-1-2-9(11)5-8/h1-4,7-9,11H,5-6,16H2,(H,17,18)
InChIKeyWWULCDRZXKFICC-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.56
Rot. Bonds2

About N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 43600111) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID43600111
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC NameN-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESNc1ccc(F)c(NC(=O)C2CC3C=CC2C3)c1
InChIInChI=1S/C14H15FN2O/c15-12-4-3-10(16)7-13(12)17-14(18)11-6-8-1-2-9(11)5-8/h1-4,7-9,11H,5-6,16H2,(H,17,18)
InChIKeyWWULCDRZXKFICC-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 113255457
N-(5-amino-2-fluorophenyl)cyclopent-3-ene-1-carboxamide
CID 64766487
N-(2,5-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42905929
N-(5-amino-2-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79751128
N-(2-dimethylphosphoryl-4-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 166380076
N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81466790
(1R,2S,4S)-N-(2-chlorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 124568561
N-(2,3-dimethylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 42906227
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)benzoic acid
CID 24701586
N-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 116649982
N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43600078
(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98514685

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 43600111) is N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is Nc1ccc(F)c(NC(=O)C2CC3C=CC2C3)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is WWULCDRZXKFICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-12-4-3-10(16)7-13(12)17-14(18)11-6-8-1-2-9(11)5-8/h1-4,7-9,11H,5-6,16H2,(H,17,18).
What are the key properties of N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
N-(5-amino-2-fluorophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 246.28 g/mol, XLogP of 2.56, 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[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 43600111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).