2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide

C28H21Cl3N2O3 — CID 19657392

IUPAC2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C28H21Cl3N2O3/c29-24-7-3-1-5-21(24)18-36-27-8-4-2-6-23(27)28(34)33-32-16-19-9-12-22(13-10-19)35-17-20-11-14-25(30)26(31)15-20/h1-16H,17-18H2,(H,33,34)/b32-16-
InChIKeyXILVGSXOUOHWJD-ZMGVVAQMSA-N
MW539.85 g/mol
LogP7.57
Rot. Bonds9

About 2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide

2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 19657392) has the molecular formula C28H21Cl3N2O3 and a molecular weight of 539.85 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID19657392
Molecular FormulaC28H21Cl3N2O3
Molecular Weight539.85 g/mol
Exact Mass538.06
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C28H21Cl3N2O3/c29-24-7-3-1-5-21(24)18-36-27-8-4-2-6-23(27)28(34)33-32-16-19-9-12-22(13-10-19)35-17-20-11-14-25(30)26(31)15-20/h1-16H,17-18H2,(H,33,34)/b32-16-
InChIKeyXILVGSXOUOHWJD-ZMGVVAQMSA-N
XLogP7.57
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.85
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657769
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
CID 19657451
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657831
N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 4154310
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
CID 135833062
[4-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 51060610
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126397265
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5437477
2-[(4-chlorophenyl)methoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6901788
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657531
4-bromo-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 91972519
2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135833052

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide (CID 19657392) is 2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide is O=C(N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is XILVGSXOUOHWJD-ZMGVVAQMSA-N. The full InChI is InChI=1S/C28H21Cl3N2O3/c29-24-7-3-1-5-21(24)18-36-27-8-4-2-6-23(27)28(34)33-32-16-19-9-12-22(13-10-19)35-17-20-11-14-25(30)26(31)15-20/h1-16H,17-18H2,(H,33,34)/b32-16-.
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 539.85 g/mol, XLogP of 7.57, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 19657392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).