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

C18H11F4NO2 — CID 2228670

IUPACN-(3-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C18H11F4NO2/c19-11-4-3-5-12(10-11)23-17(24)16-9-8-15(25-16)13-6-1-2-7-14(13)18(20,21)22/h1-10H,(H,23,24)
InChIKeyRPSUIZACPNBTRM-UHFFFAOYSA-N
MW349.28 g/mol
LogP5.36
Rot. Bonds3

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

N-(3-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 2228670) has the molecular formula C18H11F4NO2 and a molecular weight of 349.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID2228670
Molecular FormulaC18H11F4NO2
Molecular Weight349.28 g/mol
Exact Mass349.07
IUPAC NameN-(3-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C18H11F4NO2/c19-11-4-3-5-12(10-11)23-17(24)16-9-8-15(25-16)13-6-1-2-7-14(13)18(20,21)22/h1-10H,(H,23,24)
InChIKeyRPSUIZACPNBTRM-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-(3-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 2228670) is N-(3-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1cccc(F)c1)c1ccc(-c2ccccc2C(F)(F)F)o1.
What is the InChIKey of N-(3-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is RPSUIZACPNBTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4NO2/c19-11-4-3-5-12(10-11)23-17(24)16-9-8-15(25-16)13-6-1-2-7-14(13)18(20,21)22/h1-10H,(H,23,24).
What are the key properties of N-(3-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-(3-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-(3-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 2228670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).