N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide

C26H19Cl2N3O3 — CID 19660101

IUPACN-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
SMILESO=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C26H19Cl2N3O3/c27-20-11-12-23(28)24(14-20)30-25(32)26(33)31-29-15-17-5-3-9-21(13-17)34-16-19-8-4-7-18-6-1-2-10-22(18)19/h1-15H,16H2,(H,30,32)(H,31,33)/b29-15+
InChIKeyZNMZUHHDLIXMAA-WKULSOCRSA-N
MW492.36 g/mol
LogP5.81
Rot. Bonds6

About N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide

N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide (PubChem CID 19660101) has the molecular formula C26H19Cl2N3O3 and a molecular weight of 492.36 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
PubChem CID19660101
Molecular FormulaC26H19Cl2N3O3
Molecular Weight492.36 g/mol
Exact Mass491.08
IUPAC NameN-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide
SMILESO=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C26H19Cl2N3O3/c27-20-11-12-23(28)24(14-20)30-25(32)26(33)31-29-15-17-5-3-9-21(13-17)34-16-19-8-4-7-18-6-1-2-10-22(18)19/h1-15H,16H2,(H,30,32)(H,31,33)/b29-15+
InChIKeyZNMZUHHDLIXMAA-WKULSOCRSA-N
XLogP5.81
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.36
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 94847929
2-(4-chloroanilino)-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126370728
N-(2,5-dichlorophenyl)-N'-[(E)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19658498
N-(5-chloro-2-methylphenyl)-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 126013831
N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 75087504
N-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4191535
N'-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 5098627
N'-[(Z)-[3-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-chlorophenyl)oxamide
CID 126171597
[3-[[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 5011685
N-(3-chloro-2-methylphenyl)-N'-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4608595
N-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5166548
N-(2,5-dichlorophenyl)-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 135509047

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide (CID 19660101) is N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide is O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
The InChIKey is ZNMZUHHDLIXMAA-WKULSOCRSA-N. The full InChI is InChI=1S/C26H19Cl2N3O3/c27-20-11-12-23(28)24(14-20)30-25(32)26(33)31-29-15-17-5-3-9-21(13-17)34-16-19-8-4-7-18-6-1-2-10-22(18)19/h1-15H,16H2,(H,30,32)(H,31,33)/b29-15+.
What are the key properties of N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide?
N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide has a molecular weight of 492.36 g/mol, XLogP of 5.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N'-[(E)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]oxamide is sourced from PubChem (CID 19660101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).