N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-chlorobenzamide

C14H13ClN2O — CID 6045695

IUPACN-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-chlorobenzamide
SMILESO=C(N/N=C1\CC2CC=CC12)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+
InChIKeyXDJIYQIZDCYLGM-DTQAZKPQSA-N
MW260.72 g/mol
LogP3.02
Rot. Bonds2

About N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-chlorobenzamide

N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-chlorobenzamide (PubChem CID 6045695) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-chlorobenzamide
PubChem CID6045695
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC NameN-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-chlorobenzamide
SMILESO=C(N/N=C1\CC2CC=CC12)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+
InChIKeyXDJIYQIZDCYLGM-DTQAZKPQSA-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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Related Compounds

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CID 774234
2-chloro-N'-[(1Z)-1-phenylbutylidene]benzohydrazide
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2-chloro-N'-(2-ethylcyclopentylidene)benzohydrazide
CID 9663017
4-(2-chlorobenzyl)phthalazin-1(2H)-one
CID 15959081
2-chloro-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide
CID 6106844
2-chloro-N'-(3,4-dihydro-1(2H)-naphthalenylidene)benzohydrazide
CID 6304039
4-chloro-N'-(2-methylpropylidene)benzohydrazide
CID 9556855
4-chloro-N'-(2-ethylcyclopentylidene)benzohydrazide
CID 9616032
2-chloro-N-(diaminomethylideneamino)benzamide;hydrochloride
CID 15945677
4-chloro-N-(propan-2-ylideneamino)benzamide
CID 351632
(E)-N'-benzylidene-2-chlorobenzohydrazide
CID 5333054
4-chloro-N-(pentan-3-ylideneamino)benzamide
CID 3294379

Frequently Asked Questions

What is the IUPAC name of N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-chlorobenzamide?
The IUPAC name of N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-chlorobenzamide (CID 6045695) is N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-chlorobenzamide.
What is the SMILES notation for N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-chlorobenzamide?
The canonical SMILES for N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-chlorobenzamide is O=C(N/N=C1\CC2CC=CC12)c1ccccc1Cl.
What is the InChIKey of N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-chlorobenzamide?
The InChIKey is XDJIYQIZDCYLGM-DTQAZKPQSA-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+.
What are the key properties of N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-chlorobenzamide?
N-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-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-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-2-chlorobenzamide is sourced from PubChem (CID 6045695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).