N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide

C26H20ClN3O4 — CID 94837531

IUPACN'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide
SMILESO=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H20ClN3O4/c27-20-8-4-7-19(15-20)24-14-13-23(34-24)16-28-30-26(32)25(31)29-21-9-11-22(12-10-21)33-17-18-5-2-1-3-6-18/h1-16H,17H2,(H,29,31)(H,30,32)/b28-16+
InChIKeyOUFMXWGOQVHYBI-LQKURTRISA-N
MW473.92 g/mol
LogP5.27
Rot. Bonds7

About N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide

N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide (PubChem CID 94837531) has the molecular formula C26H20ClN3O4 and a molecular weight of 473.92 g/mol. Its IUPAC name is N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide
PubChem CID94837531
Molecular FormulaC26H20ClN3O4
Molecular Weight473.92 g/mol
Exact Mass473.11
IUPAC NameN'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide
SMILESO=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H20ClN3O4/c27-20-8-4-7-19(15-20)24-14-13-23(34-24)16-28-30-26(32)25(31)29-21-9-11-22(12-10-21)33-17-18-5-2-1-3-6-18/h1-16H,17H2,(H,29,31)(H,30,32)/b28-16+
InChIKeyOUFMXWGOQVHYBI-LQKURTRISA-N
XLogP5.27
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.92
LogP ≤ 55.27
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)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)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-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657732
N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 94837463
N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 3705958
N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 3825733
N-(4-ethylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3862743
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2831961
N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3329595
N'-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 8930207
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-3,5-dimethoxybenzamide
CID 3461046
N'-[(Z)-[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide
CID 98058160
N'-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 6028508
N-(3-chlorophenyl)-N'-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]oxamide
CID 94832718

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide?
The IUPAC name of N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide (CID 94837531) is N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide.
What is the SMILES notation for N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide?
The canonical SMILES for N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide is O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide?
The InChIKey is OUFMXWGOQVHYBI-LQKURTRISA-N. The full InChI is InChI=1S/C26H20ClN3O4/c27-20-8-4-7-19(15-20)24-14-13-23(34-24)16-28-30-26(32)25(31)29-21-9-11-22(12-10-21)33-17-18-5-2-1-3-6-18/h1-16H,17H2,(H,29,31)(H,30,32)/b28-16+.
What are the key properties of N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide?
N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide has a molecular weight of 473.92 g/mol, XLogP of 5.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-(4-phenylmethoxyphenyl)oxamide is sourced from PubChem (CID 94837531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).