2-phenyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide

C20H15F3N2O2 — CID 1378654

IUPAC2-phenyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
SMILESO=C(Cc1ccccc1)NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)16-8-4-7-15(12-16)18-10-9-17(27-18)13-24-25-19(26)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,25,26)
InChIKeyCZIPHKWZUGABAW-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.66
Rot. Bonds5

About 2-phenyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide

2-phenyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide (PubChem CID 1378654) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 2-phenyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
PubChem CID1378654
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name2-phenyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide
SMILESO=C(Cc1ccccc1)NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C20H15F3N2O2/c21-20(22,23)16-8-4-7-15(12-16)18-10-9-17(27-18)13-24-25-19(26)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,25,26)
InChIKeyCZIPHKWZUGABAW-UHFFFAOYSA-N
XLogP4.66
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-phenyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide?
The IUPAC name of 2-phenyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide (CID 1378654) is 2-phenyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-phenyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide?
The canonical SMILES for 2-phenyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is O=C(Cc1ccccc1)NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of 2-phenyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide?
The InChIKey is CZIPHKWZUGABAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c21-20(22,23)16-8-4-7-15(12-16)18-10-9-17(27-18)13-24-25-19(26)11-14-5-2-1-3-6-14/h1-10,12-13H,11H2,(H,25,26).
What are the key properties of 2-phenyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide?
2-phenyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide has a molecular weight of 372.35 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide is sourced from PubChem (CID 1378654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).