5-[(2-chlorophenoxy)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide

C19H14ClFN2O3 — CID 1004975

IUPAC5-[(2-chlorophenoxy)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1ccccc1F)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C19H14ClFN2O3/c20-15-6-2-4-8-17(15)25-12-14-9-10-18(26-14)19(24)23-22-11-13-5-1-3-7-16(13)21/h1-11H,12H2,(H,23,24)
InChIKeyMMPFNQWLVPEDRC-UHFFFAOYSA-N
MW372.78 g/mol
LogP4.41
Rot. Bonds6

About 5-[(2-chlorophenoxy)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide

5-[(2-chlorophenoxy)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide (PubChem CID 1004975) has the molecular formula C19H14ClFN2O3 and a molecular weight of 372.78 g/mol. Its IUPAC name is 5-[(2-chlorophenoxy)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenoxy)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide
PubChem CID1004975
Molecular FormulaC19H14ClFN2O3
Molecular Weight372.78 g/mol
Exact Mass372.07
IUPAC Name5-[(2-chlorophenoxy)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide
SMILESO=C(NN=Cc1ccccc1F)c1ccc(COc2ccccc2Cl)o1
InChIInChI=1S/C19H14ClFN2O3/c20-15-6-2-4-8-17(15)25-12-14-9-10-18(26-14)19(24)23-22-11-13-5-1-3-7-16(13)21/h1-11H,12H2,(H,23,24)
InChIKeyMMPFNQWLVPEDRC-UHFFFAOYSA-N
XLogP4.41
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2-fluorophenyl)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-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenoxy)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide (CID 1004975) is 5-[(2-chlorophenoxy)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenoxy)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenoxy)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide is O=C(NN=Cc1ccccc1F)c1ccc(COc2ccccc2Cl)o1.
What is the InChIKey of 5-[(2-chlorophenoxy)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is MMPFNQWLVPEDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O3/c20-15-6-2-4-8-17(15)25-12-14-9-10-18(26-14)19(24)23-22-11-13-5-1-3-7-16(13)21/h1-11H,12H2,(H,23,24).
What are the key properties of 5-[(2-chlorophenoxy)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide?
5-[(2-chlorophenoxy)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 372.78 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenoxy)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 1004975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).