4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate

C21H15ClNO3- — CID 7640518

IUPAC4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate
SMILESO=C([O-])c1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1
InChIInChI=1S/C21H16ClNO3/c22-19-7-3-1-6-17(19)14-26-20-8-4-2-5-16(20)13-23-18-11-9-15(10-12-18)21(24)25/h1-13H,14H2,(H,24,25)/p-1/b23-13+
InChIKeyUJCVJGROCYZDEH-YDZHTSKRSA-M
MW364.81 g/mol
LogP4.03
Rot. Bonds6

About 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate

4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate (PubChem CID 7640518) has the molecular formula C21H15ClNO3- and a molecular weight of 364.81 g/mol. Its IUPAC name is 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate.

Molecular Properties

Compound Name4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate
PubChem CID7640518
Molecular FormulaC21H15ClNO3-
Molecular Weight364.81 g/mol
Exact Mass364.07
IUPAC Name4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate
SMILESO=C([O-])c1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1
InChIInChI=1S/C21H16ClNO3/c22-19-7-3-1-6-17(19)14-26-20-8-4-2-5-16(20)13-23-18-11-9-15(10-12-18)21(24)25/h1-13H,14H2,(H,24,25)/p-1/b23-13+
InChIKeyUJCVJGROCYZDEH-YDZHTSKRSA-M
XLogP4.03
TPSA61.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 758615
4-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]phenol
CID 50885952
2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 693298
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 44522071
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
CID 5214924
4-[(5E)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoate
CID 2288765
N-[4-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]phenyl]propanamide
CID 4660053
N-[2-[(2E)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 155542057
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6051853
1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one
CID 71070201
1-[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126216177
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
CID 3948136

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate?
The IUPAC name of 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate (CID 7640518) is 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate.
What is the SMILES notation for 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate?
The canonical SMILES for 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate is O=C([O-])c1ccc(/N=C/c2ccccc2OCc2ccccc2Cl)cc1.
What is the InChIKey of 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate?
The InChIKey is UJCVJGROCYZDEH-YDZHTSKRSA-M. The full InChI is InChI=1S/C21H16ClNO3/c22-19-7-3-1-6-17(19)14-26-20-8-4-2-5-16(20)13-23-18-11-9-15(10-12-18)21(24)25/h1-13H,14H2,(H,24,25)/p-1/b23-13+.
What are the key properties of 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate?
4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate has a molecular weight of 364.81 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzoate is sourced from PubChem (CID 7640518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).