N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide

C17H18F2N2O3 — CID 8518935

IUPACN-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C)oc1C)c1cc(C)ccc1OC(F)F
InChIInChI=1S/C17H18F2N2O3/c1-9-5-6-15(24-17(18)19)13(7-9)11(3)20-21-16(22)14-8-10(2)23-12(14)4/h5-8,17H,1-4H3,(H,21,22)/b20-11-
InChIKeyOWYLQWMDWFUWSR-JAIQZWGSSA-N
MW336.34 g/mol
LogP3.96
Rot. Bonds5

About N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide

N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide (PubChem CID 8518935) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide
PubChem CID8518935
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC NameN-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide
SMILESC/C(=N/NC(=O)c1cc(C)oc1C)c1cc(C)ccc1OC(F)F
InChIInChI=1S/C17H18F2N2O3/c1-9-5-6-15(24-17(18)19)13(7-9)11(3)20-21-16(22)14-8-10(2)23-12(14)4/h5-8,17H,1-4H3,(H,21,22)/b20-11-
InChIKeyOWYLQWMDWFUWSR-JAIQZWGSSA-N
XLogP3.96
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.96
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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Related Compounds

2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide
CID 8518516
N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9315965
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135635825
N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide
CID 3390969
N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2594194
N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-4-fluorobenzamide
CID 9016562
2,5-dimethyl-N-[1-(2,3,4-trichlorophenyl)ethylideneamino]furan-3-carboxamide
CID 4638299
2-chloro-N-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]benzamide
CID 6156048
N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 46799495
N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6131731
2,5-dimethyl-N-[(Z)-4-methylpentan-2-ylideneamino]furan-3-carboxamide
CID 6175255
N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9179733

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide (CID 8518935) is N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide is C/C(=N/NC(=O)c1cc(C)oc1C)c1cc(C)ccc1OC(F)F.
What is the InChIKey of N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is OWYLQWMDWFUWSR-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-9-5-6-15(24-17(18)19)13(7-9)11(3)20-21-16(22)14-8-10(2)23-12(14)4/h5-8,17H,1-4H3,(H,21,22)/b20-11-.
What are the key properties of N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide?
N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[2-(difluoromethoxy)-5-methylphenyl]ethylideneamino]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 8518935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).