5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide

C18H12F3NO2 — CID 141114523

IUPAC5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)oc1C(F)(F)F
InChIInChI=1S/C18H12F3NO2/c19-18(20,21)16-14(17(22)23)10-15(24-16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H2,22,23)
InChIKeyXXFPWGNRZXRJLW-UHFFFAOYSA-N
MW331.29 g/mol
LogP4.73
Rot. Bonds3

About 5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide

5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 141114523) has the molecular formula C18H12F3NO2 and a molecular weight of 331.29 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound Name5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide
PubChem CID141114523
Molecular FormulaC18H12F3NO2
Molecular Weight331.29 g/mol
Exact Mass331.08
IUPAC Name5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide
SMILESNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)oc1C(F)(F)F
InChIInChI=1S/C18H12F3NO2/c19-18(20,21)16-14(17(22)23)10-15(24-16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H2,22,23)
InChIKeyXXFPWGNRZXRJLW-UHFFFAOYSA-N
XLogP4.73
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]furan-3-carboxylic acid
CID 2778104
1-[5-(4-methylphenyl)-2-(trifluoromethyl)furan-3-yl]ethanone
CID 83607019
N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide
CID 54761409
ethyl 5-(4-bromophenyl)-2-(trifluoromethyl)furan-3-carboxylate
CID 91654866
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate
CID 6067297
5-(4-chlorophenyl)-N-[5-chloro-2-(phenylcarbamoyl)phenyl]-2-(trifluoromethyl)furan-3-carboxamide
CID 25101474
2-phenyl-1-benzofuran-7-carboxamide
CID 157010763
3-phenyl-2-[3-[4-[[5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]phenyl]phenoxy]propanoic acid
CID 11787069
5-carbamoyl-2-(trifluoromethyl)furan-3-carboxylic acid
CID 133055417
2-hydroxy-4-phenylbenzamide
CID 19349044
4-chloro-2-[[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl]amino]benzoyl chloride
CID 87548006
ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen
CID 143768800

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide?
The IUPAC name of 5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide (CID 141114523) is 5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide.
What is the SMILES notation for 5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide?
The canonical SMILES for 5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide is NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)oc1C(F)(F)F.
What is the InChIKey of 5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide?
The InChIKey is XXFPWGNRZXRJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO2/c19-18(20,21)16-14(17(22)23)10-15(24-16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H2,22,23).
What are the key properties of 5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide?
5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide has a molecular weight of 331.29 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 141114523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).