2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide

C20H17ClN2O4 — CID 17047941

IUPAC2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide
SMILESCOc1ccc(COc2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)cc1
InChIInChI=1S/C20H17ClN2O4/c1-25-15-8-6-14(7-9-15)13-26-19-11-10-16(27-19)12-22-23-20(24)17-4-2-3-5-18(17)21/h2-12H,13H2,1H3,(H,23,24)/b22-12+
InChIKeyCRNXFEGKRDDQJG-WSDLNYQXSA-N
MW384.82 g/mol
LogP4.28
Rot. Bonds7

About 2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide

2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide (PubChem CID 17047941) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is 2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide
PubChem CID17047941
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide
SMILESCOc1ccc(COc2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)cc1
InChIInChI=1S/C20H17ClN2O4/c1-25-15-8-6-14(7-9-15)13-26-19-11-10-16(27-19)12-22-23-20(24)17-4-2-3-5-18(17)21/h2-12H,13H2,1H3,(H,23,24)/b22-12+
InChIKeyCRNXFEGKRDDQJG-WSDLNYQXSA-N
XLogP4.28
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.28
H-Bond Donors ≤ 51
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 2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]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

2-bromo-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide
CID 17047939
2-[(4-chlorophenyl)methoxy]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6901788
3-[(4-fluorobenzoyl)amino]-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide
CID 17047964
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5437477
4-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]butanamide
CID 17047940
2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide
CID 7782249
2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 75087398
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
[4-[(E)-[[2-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 51060610
2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide
CID 9016382

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide (CID 17047941) is 2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide is COc1ccc(COc2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)cc1.
What is the InChIKey of 2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide?
The InChIKey is CRNXFEGKRDDQJG-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-25-15-8-6-14(7-9-15)13-26-19-11-10-16(27-19)12-22-23-20(24)17-4-2-3-5-18(17)21/h2-12H,13H2,1H3,(H,23,24)/b22-12+.
What are the key properties of 2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide?
2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide has a molecular weight of 384.82 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(E)-[5-[(4-methoxyphenyl)methoxy]furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 17047941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).