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

C18H11F4NO2 — CID 4011448

IUPACN-(2-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C18H11F4NO2/c19-13-7-3-4-8-14(13)23-17(24)16-10-9-15(25-16)11-5-1-2-6-12(11)18(20,21)22/h1-10H,(H,23,24)
InChIKeyNXWOTNAWPKQCIU-UHFFFAOYSA-N
MW349.28 g/mol
LogP5.36
Rot. Bonds3

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

N-(2-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 4011448) has the molecular formula C18H11F4NO2 and a molecular weight of 349.28 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID4011448
Molecular FormulaC18H11F4NO2
Molecular Weight349.28 g/mol
Exact Mass349.07
IUPAC NameN-(2-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C18H11F4NO2/c19-13-7-3-4-8-14(13)23-17(24)16-10-9-15(25-16)11-5-1-2-6-12(11)18(20,21)22/h1-10H,(H,23,24)
InChIKeyNXWOTNAWPKQCIU-UHFFFAOYSA-N
XLogP5.36
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.28
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 4011448) is N-(2-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(-c2ccccc2C(F)(F)F)o1.
What is the InChIKey of N-(2-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is NXWOTNAWPKQCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4NO2/c19-13-7-3-4-8-14(13)23-17(24)16-10-9-15(25-16)11-5-1-2-6-12(11)18(20,21)22/h1-10H,(H,23,24).
What are the key properties of N-(2-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-(2-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 349.28 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 4011448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).