2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide

C21H17ClN2O3 — CID 135833052

IUPAC2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccc1O)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C21H17ClN2O3/c22-18-10-4-1-8-16(18)14-27-20-12-6-3-9-17(20)21(26)24-23-13-15-7-2-5-11-19(15)25/h1-13,25H,14H2,(H,24,26)/b23-13-
InChIKeyYVVWPKPVCIHTKH-QRVIBDJDSA-N
MW380.83 g/mol
LogP4.39
Rot. Bonds6

About 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide

2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135833052) has the molecular formula C21H17ClN2O3 and a molecular weight of 380.83 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135833052
Molecular FormulaC21H17ClN2O3
Molecular Weight380.83 g/mol
Exact Mass380.09
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccc1O)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C21H17ClN2O3/c22-18-10-4-1-8-16(18)14-27-20-12-6-3-9-17(20)21(26)24-23-13-15-7-2-5-11-19(15)25/h1-13,25H,14H2,(H,24,26)/b23-13-
InChIKeyYVVWPKPVCIHTKH-QRVIBDJDSA-N
XLogP4.39
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29146902
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5016843
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
CID 135833062
2-[(2-chlorophenyl)methoxy]-N-(furan-2-ylmethylideneamino)benzamide
CID 2574555
2-[(2-chlorophenyl)methoxy]-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 2477343
2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 75087398
N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
CID 5214924
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 758615
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657769
2-[(2-chlorophenyl)methoxy]-N-[(E)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]benzamide
CID 19657270
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135578299

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide (CID 135833052) is 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccccc1O)c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is YVVWPKPVCIHTKH-QRVIBDJDSA-N. The full InChI is InChI=1S/C21H17ClN2O3/c22-18-10-4-1-8-16(18)14-27-20-12-6-3-9-17(20)21(26)24-23-13-15-7-2-5-11-19(15)25/h1-13,25H,14H2,(H,24,26)/b23-13-.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide?
2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 380.83 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135833052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).