N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide

C15H15FN2O2 — CID 9242073

IUPACN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide
SMILESO=C(COc1cccc(F)c1)N/N=C1/C[C@H]2C=CC[C@@H]12
InChIInChI=1S/C15H15FN2O2/c16-11-4-2-5-12(8-11)20-9-15(19)18-17-14-7-10-3-1-6-13(10)14/h1-5,8,10,13H,6-7,9H2,(H,18,19)/b17-14-/t10-,13-/m1/s1
InChIKeyGJQWWDJPIFHHHI-STJBDUSFSA-N
MW274.29 g/mol
LogP2.27
Rot. Bonds4

About N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide

N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide (PubChem CID 9242073) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide
PubChem CID9242073
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC NameN-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide
SMILESO=C(COc1cccc(F)c1)N/N=C1/C[C@H]2C=CC[C@@H]12
InChIInChI=1S/C15H15FN2O2/c16-11-4-2-5-12(8-11)20-9-15(19)18-17-14-7-10-3-1-6-13(10)14/h1-5,8,10,13H,6-7,9H2,(H,18,19)/b17-14-/t10-,13-/m1/s1
InChIKeyGJQWWDJPIFHHHI-STJBDUSFSA-N
XLogP2.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide
CID 9242077
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
CID 9316703
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide
CID 9315386
N-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 40605805
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide
CID 9316048
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412326
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide
CID 5070678
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide
CID 9467244
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)hexanamide
CID 4517502
2-(3-fluorophenoxy)-N-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
CID 6219304
N-[(E)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 51421239
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-3,4-dimethoxybenzamide
CID 9232780

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide (CID 9242073) is N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide is O=C(COc1cccc(F)c1)N/N=C1/C[C@H]2C=CC[C@@H]12.
What is the InChIKey of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide?
The InChIKey is GJQWWDJPIFHHHI-STJBDUSFSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-11-4-2-5-12(8-11)20-9-15(19)18-17-14-7-10-3-1-6-13(10)14/h1-5,8,10,13H,6-7,9H2,(H,18,19)/b17-14-/t10-,13-/m1/s1.
What are the key properties of N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide?
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide has a molecular weight of 274.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 9242073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).