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

C18H10Cl2F3NO2 — CID 2945811

IUPAC5-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H10Cl2F3NO2/c19-12-4-2-1-3-11(12)15-7-8-16(26-15)17(25)24-14-9-10(18(21,22)23)5-6-13(14)20/h1-9H,(H,24,25)
InChIKeyACVBSCFJRLVTIM-UHFFFAOYSA-N
MW400.18 g/mol
LogP6.52
Rot. Bonds3

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

5-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 2945811) has the molecular formula C18H10Cl2F3NO2 and a molecular weight of 400.18 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID2945811
Molecular FormulaC18H10Cl2F3NO2
Molecular Weight400.18 g/mol
Exact Mass399.00
IUPAC Name5-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H10Cl2F3NO2/c19-12-4-2-1-3-11(12)15-7-8-16(26-15)17(25)24-14-9-10(18(21,22)23)5-6-13(14)20/h1-9H,(H,24,25)
InChIKeyACVBSCFJRLVTIM-UHFFFAOYSA-N
XLogP6.52
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.18
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 2945811) is 5-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is ACVBSCFJRLVTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F3NO2/c19-12-4-2-1-3-11(12)15-7-8-16(26-15)17(25)24-14-9-10(18(21,22)23)5-6-13(14)20/h1-9H,(H,24,25).
What are the key properties of 5-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 400.18 g/mol, XLogP of 6.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 2945811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).