N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide

C23H20ClN3O4 — CID 51061218

IUPACN'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20ClN3O4/c1-30-20-7-4-6-19(13-20)26-22(28)23(29)27-25-14-17-5-2-3-8-21(17)31-15-16-9-11-18(24)12-10-16/h2-14H,15H2,1H3,(H,26,28)(H,27,29)/b25-14+
InChIKeyQELGHOXKVYNOPA-AFUMVMLFSA-N
MW437.88 g/mol
LogP4.02
Rot. Bonds7

About N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide

N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide (PubChem CID 51061218) has the molecular formula C23H20ClN3O4 and a molecular weight of 437.88 g/mol. Its IUPAC name is N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide
PubChem CID51061218
Molecular FormulaC23H20ClN3O4
Molecular Weight437.88 g/mol
Exact Mass437.11
IUPAC NameN'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1
InChIInChI=1S/C23H20ClN3O4/c1-30-20-7-4-6-19(13-20)26-22(28)23(29)27-25-14-17-5-2-3-8-21(17)31-15-16-9-11-18(24)12-10-16/h2-14H,15H2,1H3,(H,26,28)(H,27,29)/b25-14+
InChIKeyQELGHOXKVYNOPA-AFUMVMLFSA-N
XLogP4.02
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)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

N-(3-methoxyphenyl)-N'-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]oxamide
CID 51061271
N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126277741
N'-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3903944
N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 136704523
N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 45054809
N-(4-chlorophenyl)-N'-[(2-ethoxyphenyl)methylideneamino]oxamide
CID 4663699
N-(3,4-dimethylphenyl)-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 8902607
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 831292
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methylpropanamide
CID 6877337
N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 126175158
N-(2,6-dimethylphenyl)-N'-[(Z)-[2-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126275106
[4-bromo-2-[[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3846996

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide?
The IUPAC name of N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide (CID 51061218) is N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide?
The canonical SMILES for N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1.
What is the InChIKey of N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide?
The InChIKey is QELGHOXKVYNOPA-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H20ClN3O4/c1-30-20-7-4-6-19(13-20)26-22(28)23(29)27-25-14-17-5-2-3-8-21(17)31-15-16-9-11-18(24)12-10-16/h2-14H,15H2,1H3,(H,26,28)(H,27,29)/b25-14+.
What are the key properties of N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide?
N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide has a molecular weight of 437.88 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 51061218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).