N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide

C14H13FN2O — CID 4059323

IUPACN-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide
SMILESO=C(NN=C1CC2C=CCC12)c1ccccc1F
InChIInChI=1S/C14H13FN2O/c15-12-7-2-1-5-11(12)14(18)17-16-13-8-9-4-3-6-10(9)13/h1-5,7,9-10H,6,8H2,(H,17,18)
InChIKeyRZEXVFLEEVBHEE-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.51
Rot. Bonds2

About N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide

N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide (PubChem CID 4059323) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide
PubChem CID4059323
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC NameN-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide
SMILESO=C(NN=C1CC2C=CCC12)c1ccccc1F
InChIInChI=1S/C14H13FN2O/c15-12-7-2-1-5-11(12)14(18)17-16-13-8-9-4-3-6-10(9)13/h1-5,7,9-10H,6,8H2,(H,17,18)
InChIKeyRZEXVFLEEVBHEE-UHFFFAOYSA-N
XLogP2.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide (CID 4059323) is N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide is O=C(NN=C1CC2C=CCC12)c1ccccc1F.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide?
The InChIKey is RZEXVFLEEVBHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-12-7-2-1-5-11(12)14(18)17-16-13-8-9-4-3-6-10(9)13/h1-5,7,9-10H,6,8H2,(H,17,18).
What are the key properties of N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide?
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide has a molecular weight of 244.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-fluorobenzamide is sourced from PubChem (CID 4059323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).