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

C14H13ClN2O — CID 7939655

IUPACN-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-2-chlorobenzamide
SMILESO=C(N/N=C1/C[C@H]2CC=C[C@@H]12)c1ccccc1Cl
InChIInChI=1S/C14H13ClN2O/c15-12-7-2-1-5-11(12)14(18)17-16-13-8-9-4-3-6-10(9)13/h1-3,5-7,9-10H,4,8H2,(H,17,18)/b16-13-/t9-,10-/m1/s1
InChIKeyXDJIYQIZDCYLGM-WBVUFQPPSA-N
MW260.72 g/mol
LogP3.02
Rot. Bonds2

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

N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-2-chlorobenzamide (PubChem CID 7939655) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-2-chlorobenzamide
PubChem CID7939655
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC NameN-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-2-chlorobenzamide
SMILESO=C(N/N=C1/C[C@H]2CC=C[C@@H]12)c1ccccc1Cl
InChIInChI=1S/C14H13ClN2O/c15-12-7-2-1-5-11(12)14(18)17-16-13-8-9-4-3-6-10(9)13/h1-3,5-7,9-10H,4,8H2,(H,17,18)/b16-13-/t9-,10-/m1/s1
InChIKeyXDJIYQIZDCYLGM-WBVUFQPPSA-N
XLogP3.02
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.02
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-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-2-chlorobenzamide?
The IUPAC name of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-2-chlorobenzamide (CID 7939655) is N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-2-chlorobenzamide.
What is the SMILES notation for N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-2-chlorobenzamide?
The canonical SMILES for N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-2-chlorobenzamide is O=C(N/N=C1/C[C@H]2CC=C[C@@H]12)c1ccccc1Cl.
What is the InChIKey of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-2-chlorobenzamide?
The InChIKey is XDJIYQIZDCYLGM-WBVUFQPPSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-12-7-2-1-5-11(12)14(18)17-16-13-8-9-4-3-6-10(9)13/h1-3,5-7,9-10H,4,8H2,(H,17,18)/b16-13-/t9-,10-/m1/s1.
What are the key properties of N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-2-chlorobenzamide?
N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-2-chlorobenzamide has a molecular weight of 260.72 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1R,5S)-6-bicyclo[3.2.0]hept-3-enylidene]amino]-2-chlorobenzamide is sourced from PubChem (CID 7939655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).