N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide

C29H24ClN3O4 — CID 19657451

IUPACN-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
SMILESO=C(COc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2Cl)cc1)Nc1ccccc1
InChIInChI=1S/C29H24ClN3O4/c30-26-12-6-4-8-22(26)19-37-27-13-7-5-11-25(27)29(35)33-31-18-21-14-16-24(17-15-21)36-20-28(34)32-23-9-2-1-3-10-23/h1-18H,19-20H2,(H,32,34)(H,33,35)/b31-18+
InChIKeyMYYSRWQOLHNFOU-FDAWAROLSA-N
MW513.98 g/mol
LogP5.70
Rot. Bonds10

About N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide

N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide (PubChem CID 19657451) has the molecular formula C29H24ClN3O4 and a molecular weight of 513.98 g/mol. Its IUPAC name is N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
PubChem CID19657451
Molecular FormulaC29H24ClN3O4
Molecular Weight513.98 g/mol
Exact Mass513.15
IUPAC NameN-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
SMILESO=C(COc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2Cl)cc1)Nc1ccccc1
InChIInChI=1S/C29H24ClN3O4/c30-26-12-6-4-8-22(26)19-37-27-13-7-5-11-25(27)29(35)33-31-18-21-14-16-24(17-15-21)36-20-28(34)32-23-9-2-1-3-10-23/h1-18H,19-20H2,(H,32,34)(H,33,35)/b31-18+
InChIKeyMYYSRWQOLHNFOU-FDAWAROLSA-N
XLogP5.70
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.98
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide 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-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
CID 1105534
2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 19657392
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide
CID 6293738
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-chlorobenzamide
CID 96877628
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide
CID 94833201
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657769
2-(2-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19189856
N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-ethylphenoxy)acetamide
CID 19182567
N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-bromobenzamide
CID 92850574
N-[(E)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide
CID 135833062
2-[(2-chlorophenyl)methoxy]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135833052
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3315682

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide?
The IUPAC name of N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide (CID 19657451) is N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide?
The canonical SMILES for N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide is O=C(COc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2Cl)cc1)Nc1ccccc1.
What is the InChIKey of N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide?
The InChIKey is MYYSRWQOLHNFOU-FDAWAROLSA-N. The full InChI is InChI=1S/C29H24ClN3O4/c30-26-12-6-4-8-22(26)19-37-27-13-7-5-11-25(27)29(35)33-31-18-21-14-16-24(17-15-21)36-20-28(34)32-23-9-2-1-3-10-23/h1-18H,19-20H2,(H,32,34)(H,33,35)/b31-18+.
What are the key properties of N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide?
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide has a molecular weight of 513.98 g/mol, XLogP of 5.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-[(2-chlorophenyl)methoxy]benzamide is sourced from PubChem (CID 19657451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).