4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide

C17H15ClN2O2 — CID 5334393

IUPAC4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-2-11-22-16-6-4-3-5-14(16)12-19-20-17(21)13-7-9-15(18)10-8-13/h2-10,12H,1,11H2,(H,20,21)/b19-12+
InChIKeyPHKGKYIJQOBEOA-XDHOZWIPSA-N
MW314.77 g/mol
LogP3.67
Rot. Bonds6

About 4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide

4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide (PubChem CID 5334393) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
PubChem CID5334393
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
SMILESC=CCOc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN2O2/c1-2-11-22-16-6-4-3-5-14(16)12-19-20-17(21)13-7-9-15(18)10-8-13/h2-10,12H,1,11H2,(H,20,21)/b19-12+
InChIKeyPHKGKYIJQOBEOA-XDHOZWIPSA-N
XLogP3.67
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.67
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

4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6321753
4-phenyl-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788843
4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 45055049
4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6302836
N,N'-bis[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]butanediamide
CID 6003774
4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110338654
4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788777
N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126323010
N,N'-bis[(2-prop-2-enoxyphenyl)methylideneamino]pentanediamide
CID 3634510
4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 2691883
4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 124508573
4-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6006510

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide (CID 5334393) is 4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide is C=CCOc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide?
The InChIKey is PHKGKYIJQOBEOA-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-2-11-22-16-6-4-3-5-14(16)12-19-20-17(21)13-7-9-15(18)10-8-13/h2-10,12H,1,11H2,(H,20,21)/b19-12+.
What are the key properties of 4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide?
4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide has a molecular weight of 314.77 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5334393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).