N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide

C21H19ClN2O2 — CID 9408998

IUPACN-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide
SMILESO=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2O2/c22-17-8-10-18(11-9-17)26-13-14-4-6-15(7-5-14)21(25)24-23-20-12-16-2-1-3-19(16)20/h1-2,4-11,16,19H,3,12-13H2,(H,24,25)/b23-20-/t16-,19+/m0/s1
InChIKeyRUPYEOKBKBBJAS-BPZWCHMKSA-N
MW366.85 g/mol
LogP4.60
Rot. Bonds5

About N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide

N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide (PubChem CID 9408998) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide
PubChem CID9408998
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC NameN-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide
SMILESO=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1ccc(COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H19ClN2O2/c22-17-8-10-18(11-9-17)26-13-14-4-6-15(7-5-14)21(25)24-23-20-12-16-2-1-3-19(16)20/h1-2,4-11,16,19H,3,12-13H2,(H,24,25)/b23-20-/t16-,19+/m0/s1
InChIKeyRUPYEOKBKBBJAS-BPZWCHMKSA-N
XLogP4.60
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.60
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'}

Analyze N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide?
The IUPAC name of N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide (CID 9408998) is N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide.
What is the SMILES notation for N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide?
The canonical SMILES for N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide is O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1ccc(COc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide?
The InChIKey is RUPYEOKBKBBJAS-BPZWCHMKSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c22-17-8-10-18(11-9-17)26-13-14-4-6-15(7-5-14)21(25)24-23-20-12-16-2-1-3-19(16)20/h1-2,4-11,16,19H,3,12-13H2,(H,24,25)/b23-20-/t16-,19+/m0/s1.
What are the key properties of N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide?
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide has a molecular weight of 366.85 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-[(4-chlorophenoxy)methyl]benzamide is sourced from PubChem (CID 9408998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).