5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide

C22H21ClN2O5 — CID 6874399

IUPAC5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(COc3ccccc3Cl)o2)c(OC)c1C
InChIInChI=1S/C22H21ClN2O5/c1-14-18(27-2)10-8-15(21(14)28-3)12-24-25-22(26)20-11-9-16(30-20)13-29-19-7-5-4-6-17(19)23/h4-12H,13H2,1-3H3,(H,25,26)/b24-12+
InChIKeyALSZPRQIWXWJGV-WYMPLXKRSA-N
MW428.87 g/mol
LogP4.60
Rot. Bonds8

About 5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide

5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 6874399) has the molecular formula C22H21ClN2O5 and a molecular weight of 428.87 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide
PubChem CID6874399
Molecular FormulaC22H21ClN2O5
Molecular Weight428.87 g/mol
Exact Mass428.11
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(COc3ccccc3Cl)o2)c(OC)c1C
InChIInChI=1S/C22H21ClN2O5/c1-14-18(27-2)10-8-15(21(14)28-3)12-24-25-22(26)20-11-9-16(30-20)13-29-19-7-5-4-6-17(19)23/h4-12H,13H2,1-3H3,(H,25,26)/b24-12+
InChIKeyALSZPRQIWXWJGV-WYMPLXKRSA-N
XLogP4.60
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide (CID 6874399) is 5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide is COc1ccc(/C=N/NC(=O)c2ccc(COc3ccccc3Cl)o2)c(OC)c1C.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is ALSZPRQIWXWJGV-WYMPLXKRSA-N. The full InChI is InChI=1S/C22H21ClN2O5/c1-14-18(27-2)10-8-15(21(14)28-3)12-24-25-22(26)20-11-9-16(30-20)13-29-19-7-5-4-6-17(19)23/h4-12H,13H2,1-3H3,(H,25,26)/b24-12+.
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide?
5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 428.87 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-[(E)-(2,4-dimethoxy-3-methylphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6874399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).