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

C20H14F3NO3 — CID 3419001

IUPACN-(3-acetylphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)c1
InChIInChI=1S/C20H14F3NO3/c1-12(25)13-5-4-6-14(11-13)24-19(26)18-10-9-17(27-18)15-7-2-3-8-16(15)20(21,22)23/h2-11H,1H3,(H,24,26)
InChIKeyGZRLJWKTEZCGJV-UHFFFAOYSA-N
MW373.33 g/mol
LogP5.42
Rot. Bonds4

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

N-(3-acetylphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 3419001) has the molecular formula C20H14F3NO3 and a molecular weight of 373.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID3419001
Molecular FormulaC20H14F3NO3
Molecular Weight373.33 g/mol
Exact Mass373.09
IUPAC NameN-(3-acetylphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)c1
InChIInChI=1S/C20H14F3NO3/c1-12(25)13-5-4-6-14(11-13)24-19(26)18-10-9-17(27-18)15-7-2-3-8-16(15)20(21,22)23/h2-11H,1H3,(H,24,26)
InChIKeyGZRLJWKTEZCGJV-UHFFFAOYSA-N
XLogP5.42
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.33
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 3419001) is N-(3-acetylphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is GZRLJWKTEZCGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO3/c1-12(25)13-5-4-6-14(11-13)24-19(26)18-10-9-17(27-18)15-7-2-3-8-16(15)20(21,22)23/h2-11H,1H3,(H,24,26).
What are the key properties of N-(3-acetylphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-(3-acetylphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 373.33 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 3419001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).