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

C28H22Cl2N2O3 — CID 6051853

IUPAC4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccc1OCc1ccccc1Cl)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H22Cl2N2O3/c29-24-13-9-20(10-14-24)18-34-25-15-11-21(12-16-25)28(33)32-31-17-22-5-2-4-8-27(22)35-19-23-6-1-3-7-26(23)30/h1-17H,18-19H2,(H,32,33)/b31-17-
InChIKeyPPJIZBGKOGJZFX-LJUMEUDFSA-N
MW505.40 g/mol
LogP6.92
Rot. Bonds9

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

4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 6051853) has the molecular formula C28H22Cl2N2O3 and a molecular weight of 505.40 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID6051853
Molecular FormulaC28H22Cl2N2O3
Molecular Weight505.40 g/mol
Exact Mass504.10
IUPAC Name4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccc1OCc1ccccc1Cl)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C28H22Cl2N2O3/c29-24-13-9-20(10-14-24)18-34-25-15-11-21(12-16-25)28(33)32-31-17-22-5-2-4-8-27(22)35-19-23-6-1-3-7-26(23)30/h1-17H,18-19H2,(H,32,33)/b31-17-
InChIKeyPPJIZBGKOGJZFX-LJUMEUDFSA-N
XLogP6.92
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.40
LogP ≤ 56.92
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

methyl 4-[[2-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 51060766
N-[(Z)-(2-butoxyphenyl)methylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
CID 6163914
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6321753
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-pentoxyphenyl)methylideneamino]benzamide
CID 56693862
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-hexoxyphenyl)methylideneamino]benzamide
CID 6321755
N-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide
CID 3801472
4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110338654
4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124541270
4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 51061534
4-chloro-N-[(E)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21379718
N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-ethoxy-4-phenylmethoxybenzamide
CID 126325115
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide (CID 6051853) is 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide is O=C(N/N=C\c1ccccc1OCc1ccccc1Cl)c1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is PPJIZBGKOGJZFX-LJUMEUDFSA-N. The full InChI is InChI=1S/C28H22Cl2N2O3/c29-24-13-9-20(10-14-24)18-34-25-15-11-21(12-16-25)28(33)32-31-17-22-5-2-4-8-27(22)35-19-23-6-1-3-7-26(23)30/h1-17H,18-19H2,(H,32,33)/b31-17-.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 505.40 g/mol, XLogP of 6.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 6051853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).