N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide

C19H10F7NO2 — CID 3966272

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H10F7NO2/c20-13-3-1-10(2-4-13)15-5-6-16(29-15)17(28)27-14-8-11(18(21,22)23)7-12(9-14)19(24,25)26/h1-9H,(H,27,28)
InChIKeyNKMBLLMHVGICBH-UHFFFAOYSA-N
MW417.28 g/mol
LogP6.38
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 3966272) has the molecular formula C19H10F7NO2 and a molecular weight of 417.28 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
PubChem CID3966272
Molecular FormulaC19H10F7NO2
Molecular Weight417.28 g/mol
Exact Mass417.06
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C19H10F7NO2/c20-13-3-1-10(2-4-13)15-5-6-16(29-15)17(28)27-14-8-11(18(21,22)23)7-12(9-14)19(24,25)26/h1-9H,(H,27,28)
InChIKeyNKMBLLMHVGICBH-UHFFFAOYSA-N
XLogP6.38
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.28
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17315310
N-(1,3-benzodioxol-5-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 27648507
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
N-[4-(cyanomethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 27163463
5-(4-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 7962022
N-(2-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 3436050
N-[3,5-bis(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 38739100
N-(3-amino-4-methoxyphenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 91689974
N-[3-chloro-4-(methylcarbamoyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 94632130
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
5-(4-chlorophenyl)-N-(3,4-difluorophenyl)furan-2-carboxamide
CID 18208546

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide (CID 3966272) is N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is NKMBLLMHVGICBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F7NO2/c20-13-3-1-10(2-4-13)15-5-6-16(29-15)17(28)27-14-8-11(18(21,22)23)7-12(9-14)19(24,25)26/h1-9H,(H,27,28).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 417.28 g/mol, XLogP of 6.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-5-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 3966272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).