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

C15H15ClN2O2 — CID 9315386

IUPACN-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)N/N=C1/C[C@H]2C=CC[C@H]12
InChIInChI=1S/C15H15ClN2O2/c16-12-6-1-2-7-14(12)20-9-15(19)18-17-13-8-10-4-3-5-11(10)13/h1-4,6-7,10-11H,5,8-9H2,(H,18,19)/b17-13-/t10-,11+/m1/s1
InChIKeyKVSOYVLVRSUCNU-MDNFFPEVSA-N
MW290.75 g/mol
LogP2.79
Rot. Bonds4

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

N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide (PubChem CID 9315386) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide
PubChem CID9315386
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC NameN-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide
SMILESO=C(COc1ccccc1Cl)N/N=C1/C[C@H]2C=CC[C@H]12
InChIInChI=1S/C15H15ClN2O2/c16-12-6-1-2-7-14(12)20-9-15(19)18-17-13-8-10-4-3-5-11(10)13/h1-4,6-7,10-11H,5,8-9H2,(H,18,19)/b17-13-/t10-,11+/m1/s1
InChIKeyKVSOYVLVRSUCNU-MDNFFPEVSA-N
XLogP2.79
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.79
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-[(E)-[(1R,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 40605805
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)-2-(4-chloro-2-methylphenoxy)acetamide
CID 5070678
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(3-fluorophenoxy)acetamide
CID 9242073
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-phenylacetamide
CID 3745194
2-(2-chlorophenoxy)-N-(1,3-dihydroinden-2-ylideneamino)acetamide
CID 4923025
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 27516899
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
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412326
N-[(E)-6-bicyclo[3.2.0]hept-2-enylideneamino]-3,4,5-triethoxybenzamide
CID 6168805
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide?
The IUPAC name of N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide (CID 9315386) is N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide is O=C(COc1ccccc1Cl)N/N=C1/C[C@H]2C=CC[C@H]12.
What is the InChIKey of N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide?
The InChIKey is KVSOYVLVRSUCNU-MDNFFPEVSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-12-6-1-2-7-14(12)20-9-15(19)18-17-13-8-10-4-3-5-11(10)13/h1-4,6-7,10-11H,5,8-9H2,(H,18,19)/b17-13-/t10-,11+/m1/s1.
What are the key properties of N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide?
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide has a molecular weight of 290.75 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2-chlorophenoxy)acetamide is sourced from PubChem (CID 9315386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).