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

C27H19Cl3N2O3 — CID 3801472

IUPACN-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide
SMILESO=C(NN=Cc1ccccc1Oc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C27H19Cl3N2O3/c28-21-8-12-23(13-9-21)35-26-4-2-1-3-20(26)16-31-32-27(33)19-6-10-22(11-7-19)34-17-18-5-14-24(29)25(30)15-18/h1-16H,17H2,(H,32,33)
InChIKeySVMMDJQJFHYZBX-UHFFFAOYSA-N
MW525.82 g/mol
LogP7.78
Rot. Bonds8

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

N-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide (PubChem CID 3801472) has the molecular formula C27H19Cl3N2O3 and a molecular weight of 525.82 g/mol. Its IUPAC name is N-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide
PubChem CID3801472
Molecular FormulaC27H19Cl3N2O3
Molecular Weight525.82 g/mol
Exact Mass524.05
IUPAC NameN-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide
SMILESO=C(NN=Cc1ccccc1Oc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C27H19Cl3N2O3/c28-21-8-12-23(13-9-21)35-26-4-2-1-3-20(26)16-31-32-27(33)19-6-10-22(11-7-19)34-17-18-5-14-24(29)25(30)15-18/h1-16H,17H2,(H,32,33)
InChIKeySVMMDJQJFHYZBX-UHFFFAOYSA-N
XLogP7.78
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.82
LogP ≤ 57.78
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

4-[(4-chlorophenyl)methoxy]-N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6051853
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
methyl 4-[[2-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 51060766
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-pentoxyphenyl)methylideneamino]benzamide
CID 56693862
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-hexoxyphenyl)methylideneamino]benzamide
CID 6321755
3,4-dichloro-N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 45055318
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6046963
N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3875423
N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 4154310
4-[(4-chlorophenoxy)methyl]-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 9408946
N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
CID 19061038

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide?
The IUPAC name of N-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide (CID 3801472) is N-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide?
The canonical SMILES for N-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide is O=C(NN=Cc1ccccc1Oc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide?
The InChIKey is SVMMDJQJFHYZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl3N2O3/c28-21-8-12-23(13-9-21)35-26-4-2-1-3-20(26)16-31-32-27(33)19-6-10-22(11-7-19)34-17-18-5-14-24(29)25(30)15-18/h1-16H,17H2,(H,32,33).
What are the key properties of N-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide?
N-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide has a molecular weight of 525.82 g/mol, XLogP of 7.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chlorophenoxy)phenyl]methylideneamino]-4-[(3,4-dichlorophenyl)methoxy]benzamide is sourced from PubChem (CID 3801472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).