N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide

C28H24Cl2N2O2 — CID 133144098

IUPACN-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)c(C)c1
InChIInChI=1S/C28H24Cl2N2O2/c1-18-7-9-22(19(2)13-18)15-28(33)32-31-16-24-23-6-4-3-5-21(23)10-12-27(24)34-17-20-8-11-25(29)26(30)14-20/h3-14,16H,15,17H2,1-2H3,(H,32,33)/b31-16+
InChIKeyDBWKSRMZDOGWLP-WCMJOSRZSA-N
MW491.42 g/mol
LogP7.04
Rot. Bonds7

About N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide

N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 133144098) has the molecular formula C28H24Cl2N2O2 and a molecular weight of 491.42 g/mol. Its IUPAC name is N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
PubChem CID133144098
Molecular FormulaC28H24Cl2N2O2
Molecular Weight491.42 g/mol
Exact Mass490.12
IUPAC NameN-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)c(C)c1
InChIInChI=1S/C28H24Cl2N2O2/c1-18-7-9-22(19(2)13-18)15-28(33)32-31-16-24-23-6-4-3-5-21(23)10-12-27(24)34-17-20-8-11-25(29)26(30)14-20/h3-14,16H,15,17H2,1-2H3,(H,32,33)/b31-16+
InChIKeyDBWKSRMZDOGWLP-WCMJOSRZSA-N
XLogP7.04
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.42
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-(2,4-dimethylphenyl)-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 92657960
2-(4-bromophenyl)-N-[(E)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 19061644
N'-[[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(2,4-dimethylphenyl)propanediamide
CID 3373679
2-(2,4-dimethylphenyl)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137258704
N-[(Z)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657836
N-[(E)-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944538
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 126207158
N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133169261
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide
CID 85032915
N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133145300
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133170937
2-(2,4-dimethylphenyl)-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133143940

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide (CID 133144098) is N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)c(C)c1.
What is the InChIKey of N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is DBWKSRMZDOGWLP-WCMJOSRZSA-N. The full InChI is InChI=1S/C28H24Cl2N2O2/c1-18-7-9-22(19(2)13-18)15-28(33)32-31-16-24-23-6-4-3-5-21(23)10-12-27(24)34-17-20-8-11-25(29)26(30)14-20/h3-14,16H,15,17H2,1-2H3,(H,32,33)/b31-16+.
What are the key properties of N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide?
N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 491.42 g/mol, XLogP of 7.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 133144098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).