N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide

C22H18Cl2N2O3 — CID 6279107

IUPACN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide
SMILESCOc1cccc(COc2ccc(C(=O)N/N=C\c3c(Cl)cccc3Cl)cc2)c1
InChIInChI=1S/C22H18Cl2N2O3/c1-28-18-5-2-4-15(12-18)14-29-17-10-8-16(9-11-17)22(27)26-25-13-19-20(23)6-3-7-21(19)24/h2-13H,14H2,1H3,(H,26,27)/b25-13-
InChIKeyIUWCWCITHZDCPH-MXAYSNPKSA-N
MW429.30 g/mol
LogP5.34
Rot. Bonds7

About N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide

N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide (PubChem CID 6279107) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide
PubChem CID6279107
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC NameN-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide
SMILESCOc1cccc(COc2ccc(C(=O)N/N=C\c3c(Cl)cccc3Cl)cc2)c1
InChIInChI=1S/C22H18Cl2N2O3/c1-28-18-5-2-4-15(12-18)14-29-17-10-8-16(9-11-17)22(27)26-25-13-19-20(23)6-3-7-21(19)24/h2-13H,14H2,1H3,(H,26,27)/b25-13-
InChIKeyIUWCWCITHZDCPH-MXAYSNPKSA-N
XLogP5.34
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.30
LogP ≤ 55.34
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-[(3-bromophenyl)methoxy]-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 3885983
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518234
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 1274166
N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096
4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-[2-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124541270
N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide
CID 6150699
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6057561
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 54784589
4-[(3-bromophenyl)methoxy]-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 135801516
N-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246369
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-[(2,6-dichlorophenyl)methylideneamino]-4-hydroxybenzamide
CID 773943

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide?
The IUPAC name of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide (CID 6279107) is N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide.
What is the SMILES notation for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide?
The canonical SMILES for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide is COc1cccc(COc2ccc(C(=O)N/N=C\c3c(Cl)cccc3Cl)cc2)c1.
What is the InChIKey of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide?
The InChIKey is IUWCWCITHZDCPH-MXAYSNPKSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c1-28-18-5-2-4-15(12-18)14-29-17-10-8-16(9-11-17)22(27)26-25-13-19-20(23)6-3-7-21(19)24/h2-13H,14H2,1H3,(H,26,27)/b25-13-.
What are the key properties of N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide?
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide has a molecular weight of 429.30 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-4-[(3-methoxyphenyl)methoxy]benzamide is sourced from PubChem (CID 6279107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).