5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)furan-2-carboxamide

C19H10ClF3N2O2 — CID 992054

IUPAC5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)furan-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C19H10ClF3N2O2/c20-14-6-5-11(9-13(14)19(21,22)23)16-7-8-17(27-16)18(26)25-15-4-2-1-3-12(15)10-24/h1-9H,(H,25,26)
InChIKeyIFUHFSNYZLIJMR-UHFFFAOYSA-N
MW390.75 g/mol
LogP5.74
Rot. Bonds3

About 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)furan-2-carboxamide

5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)furan-2-carboxamide (PubChem CID 992054) has the molecular formula C19H10ClF3N2O2 and a molecular weight of 390.75 g/mol. Its IUPAC name is 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)furan-2-carboxamide
PubChem CID992054
Molecular FormulaC19H10ClF3N2O2
Molecular Weight390.75 g/mol
Exact Mass390.04
IUPAC Name5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)furan-2-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C19H10ClF3N2O2/c20-14-6-5-11(9-13(14)19(21,22)23)16-7-8-17(27-16)18(26)25-15-4-2-1-3-12(15)10-24/h1-9H,(H,25,26)
InChIKeyIFUHFSNYZLIJMR-UHFFFAOYSA-N
XLogP5.74
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.75
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)furan-2-carboxamide?
The IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)furan-2-carboxamide (CID 992054) is 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)furan-2-carboxamide is N#Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1.
What is the InChIKey of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)furan-2-carboxamide?
The InChIKey is IFUHFSNYZLIJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF3N2O2/c20-14-6-5-11(9-13(14)19(21,22)23)16-7-8-17(27-16)18(26)25-15-4-2-1-3-12(15)10-24/h1-9H,(H,25,26).
What are the key properties of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)furan-2-carboxamide?
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)furan-2-carboxamide has a molecular weight of 390.75 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)furan-2-carboxamide is sourced from PubChem (CID 992054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).