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

C18H11ClF3NO2 — CID 991980

IUPACN-(2-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C18H11ClF3NO2/c19-13-6-1-2-7-14(13)23-17(24)16-9-8-15(25-16)11-4-3-5-12(10-11)18(20,21)22/h1-10H,(H,23,24)
InChIKeyZYYZPZWBUWANHV-UHFFFAOYSA-N
MW365.74 g/mol
LogP5.87
Rot. Bonds3

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

N-(2-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 991980) has the molecular formula C18H11ClF3NO2 and a molecular weight of 365.74 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID991980
Molecular FormulaC18H11ClF3NO2
Molecular Weight365.74 g/mol
Exact Mass365.04
IUPAC NameN-(2-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C18H11ClF3NO2/c19-13-6-1-2-7-14(13)23-17(24)16-9-8-15(25-16)11-4-3-5-12(10-11)18(20,21)22/h1-10H,(H,23,24)
InChIKeyZYYZPZWBUWANHV-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 N-(2-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 991980) is N-(2-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1ccccc1Cl)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-(2-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is ZYYZPZWBUWANHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3NO2/c19-13-6-1-2-7-14(13)23-17(24)16-9-8-15(25-16)11-4-3-5-12(10-11)18(20,21)22/h1-10H,(H,23,24).
What are the key properties of N-(2-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-(2-chlorophenyl)-5-[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 N-(2-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 991980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).