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

C19H10F7NO2 — CID 54761409

IUPACN-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESO=C(Nc1cc(F)cc(C(F)(F)F)c1)c1cc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C19H10F7NO2/c20-12-6-11(18(21,22)23)7-13(8-12)27-17(28)14-9-15(10-4-2-1-3-5-10)29-16(14)19(24,25)26/h1-9H,(H,27,28)
InChIKeyROMUYAPSVMKEAQ-UHFFFAOYSA-N
MW417.28 g/mol
LogP6.38
Rot. Bonds3

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

N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 54761409) has the molecular formula C19H10F7NO2 and a molecular weight of 417.28 g/mol. Its IUPAC name is N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide
PubChem CID54761409
Molecular FormulaC19H10F7NO2
Molecular Weight417.28 g/mol
Exact Mass417.06
IUPAC NameN-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESO=C(Nc1cc(F)cc(C(F)(F)F)c1)c1cc(-c2ccccc2)oc1C(F)(F)F
InChIInChI=1S/C19H10F7NO2/c20-12-6-11(18(21,22)23)7-13(8-12)27-17(28)14-9-15(10-4-2-1-3-5-10)29-16(14)19(24,25)26/h1-9H,(H,27,28)
InChIKeyROMUYAPSVMKEAQ-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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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide?
The IUPAC name of N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide (CID 54761409) is N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide?
The canonical SMILES for N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide is O=C(Nc1cc(F)cc(C(F)(F)F)c1)c1cc(-c2ccccc2)oc1C(F)(F)F.
What is the InChIKey of N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide?
The InChIKey is ROMUYAPSVMKEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F7NO2/c20-12-6-11(18(21,22)23)7-13(8-12)27-17(28)14-9-15(10-4-2-1-3-5-10)29-16(14)19(24,25)26/h1-9H,(H,27,28).
What are the key properties of N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide?
N-[3-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-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-fluoro-5-(trifluoromethyl)phenyl]-5-phenyl-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 54761409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).