N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C20H15F3N2O3 — CID 1090758

IUPACN-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1
InChIInChI=1S/C20H15F3N2O3/c1-12(26)24-15-5-7-16(8-6-15)25-19(27)18-10-9-17(28-18)13-3-2-4-14(11-13)20(21,22)23/h2-11H,1H3,(H,24,26)(H,25,27)
InChIKeyHHIIUNXWDBZDRV-UHFFFAOYSA-N
MW388.35 g/mol
LogP5.18
Rot. Bonds4

About N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 1090758) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID1090758
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC NameN-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1
InChIInChI=1S/C20H15F3N2O3/c1-12(26)24-15-5-7-16(8-6-15)25-19(27)18-10-9-17(28-18)13-3-2-4-14(11-13)20(21,22)23/h2-11H,1H3,(H,24,26)(H,25,27)
InChIKeyHHIIUNXWDBZDRV-UHFFFAOYSA-N
XLogP5.18
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.35
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 1090758) is N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is HHIIUNXWDBZDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c1-12(26)24-15-5-7-16(8-6-15)25-19(27)18-10-9-17(28-18)13-3-2-4-14(11-13)20(21,22)23/h2-11H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 388.35 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1090758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).