N'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide

C15H12F3N3O3 — CID 4048886

IUPACN'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESCc1ccc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H12F3N3O3/c1-9-5-6-12(24-9)8-19-21-14(23)13(22)20-11-4-2-3-10(7-11)15(16,17)18/h2-8H,1H3,(H,20,22)(H,21,23)
InChIKeySSZFFOBZYVACNP-UHFFFAOYSA-N
MW339.27 g/mol
LogP2.70
Rot. Bonds3

About N'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide

N'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 4048886) has the molecular formula C15H12F3N3O3 and a molecular weight of 339.27 g/mol. Its IUPAC name is N'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID4048886
Molecular FormulaC15H12F3N3O3
Molecular Weight339.27 g/mol
Exact Mass339.08
IUPAC NameN'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
SMILESCc1ccc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H12F3N3O3/c1-9-5-6-12(24-9)8-19-21-14(23)13(22)20-11-4-2-3-10(7-11)15(16,17)18/h2-8H,1H3,(H,20,22)(H,21,23)
InChIKeySSZFFOBZYVACNP-UHFFFAOYSA-N
XLogP2.70
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 3705958
3-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875057
N'-[(Z)-(2,6-dichlorophenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 7738333
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 42991542
N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 2244375
N'-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 137129490
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 126173937
N'-[(Z)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 94836996
N'-[(E)-[5-[[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]methyl]furan-2-yl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 99653063
N-(4-tert-butylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501438
N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 5221188
N'-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 136908980

Frequently Asked Questions

What is the IUPAC name of N'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide (CID 4048886) is N'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is Cc1ccc(C=NNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is SSZFFOBZYVACNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3/c1-9-5-6-12(24-9)8-19-21-14(23)13(22)20-11-4-2-3-10(7-11)15(16,17)18/h2-8H,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide?
N'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 339.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 4048886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).