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

C18H11ClF3NO2 — CID 1364134

IUPAC5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C18H11ClF3NO2/c19-13-5-1-3-11(9-13)15-7-8-16(25-15)17(24)23-14-6-2-4-12(10-14)18(20,21)22/h1-10H,(H,23,24)
InChIKeyUHSWUIZSIACROD-UHFFFAOYSA-N
MW365.74 g/mol
LogP5.87
Rot. Bonds3

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

5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 1364134) has the molecular formula C18H11ClF3NO2 and a molecular weight of 365.74 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID1364134
Molecular FormulaC18H11ClF3NO2
Molecular Weight365.74 g/mol
Exact Mass365.04
IUPAC Name5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C18H11ClF3NO2/c19-13-5-1-3-11(9-13)15-7-8-16(25-15)17(24)23-14-6-2-4-12(10-14)18(20,21)22/h1-10H,(H,23,24)
InChIKeyUHSWUIZSIACROD-UHFFFAOYSA-N
XLogP5.87
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.74
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 1364134) is 5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is UHSWUIZSIACROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3NO2/c19-13-5-1-3-11(9-13)15-7-8-16(25-15)17(24)23-14-6-2-4-12(10-14)18(20,21)22/h1-10H,(H,23,24).
What are the key properties of 5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 365.74 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 1364134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).