N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide

C15H13F3N2O3 — CID 42991542

IUPACN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1ccc(/C=N/NC(=O)COc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H13F3N2O3/c1-10-5-6-13(23-10)8-19-20-14(21)9-22-12-4-2-3-11(7-12)15(16,17)18/h2-8H,9H2,1H3,(H,20,21)/b19-8+
InChIKeyUPOCWPXANSNVQE-UFWORHAWSA-N
MW326.27 g/mol
LogP3.14
Rot. Bonds5

About N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 42991542) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID42991542
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC NameN-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1ccc(/C=N/NC(=O)COc2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H13F3N2O3/c1-10-5-6-13(23-10)8-19-20-14(21)9-22-12-4-2-3-11(7-12)15(16,17)18/h2-8H,9H2,1H3,(H,20,21)/b19-8+
InChIKeyUPOCWPXANSNVQE-UFWORHAWSA-N
XLogP3.14
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.14
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

N-[(5-methylfuran-2-yl)methylideneamino]-2-phenoxyacetamide
CID 913599
2-(3,5-dimethylphenoxy)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 3803472
N-[(4-methylsulfanylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 4246520
2-(3-methylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924430
2-(3-methylphenoxy)-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6231780
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 135683233
N'-[(5-methylfuran-2-yl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 4048886
N-[(5-methylfuran-2-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 758393
2-(3,4-dimethylphenoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9316162
2-(4-ethylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924443
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide
CID 40536060
2-(2-chlorophenoxy)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
CID 6894973

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 42991542) is N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide is Cc1ccc(/C=N/NC(=O)COc2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is UPOCWPXANSNVQE-UFWORHAWSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c1-10-5-6-13(23-10)8-19-20-14(21)9-22-12-4-2-3-11(7-12)15(16,17)18/h2-8H,9H2,1H3,(H,20,21)/b19-8+.
What are the key properties of N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 326.27 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 42991542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).