N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide

C18H15FN2O3 — CID 2122451

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NN=Cc2ccc(-c3ccc(F)cc3)o2)c(C)o1
InChIInChI=1S/C18H15FN2O3/c1-11-9-16(12(2)23-11)18(22)21-20-10-15-7-8-17(24-15)13-3-5-14(19)6-4-13/h3-10H,1-2H3,(H,21,22)
InChIKeyIEJYOJGJILUFQF-UHFFFAOYSA-N
MW326.33 g/mol
LogP4.06
Rot. Bonds4

About N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 2122451) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID2122451
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NN=Cc2ccc(-c3ccc(F)cc3)o2)c(C)o1
InChIInChI=1S/C18H15FN2O3/c1-11-9-16(12(2)23-11)18(22)21-20-10-15-7-8-17(24-15)13-3-5-14(19)6-4-13/h3-10H,1-2H3,(H,21,22)
InChIKeyIEJYOJGJILUFQF-UHFFFAOYSA-N
XLogP4.06
TPSA67.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 54.06
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 2122451) is N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NN=Cc2ccc(-c3ccc(F)cc3)o2)c(C)o1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is IEJYOJGJILUFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-11-9-16(12(2)23-11)18(22)21-20-10-15-7-8-17(24-15)13-3-5-14(19)6-4-13/h3-10H,1-2H3,(H,21,22).
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 2122451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).