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

C18H9Cl3F3NO2 — CID 3984652

IUPAC5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C18H9Cl3F3NO2/c19-10-2-4-13(21)14(8-10)25-17(26)16-6-5-15(27-16)9-1-3-12(20)11(7-9)18(22,23)24/h1-8H,(H,25,26)
InChIKeyJZUYXQBSMCQEEE-UHFFFAOYSA-N
MW434.63 g/mol
LogP7.18
Rot. Bonds3

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

5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide (PubChem CID 3984652) has the molecular formula C18H9Cl3F3NO2 and a molecular weight of 434.63 g/mol. Its IUPAC name is 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide
PubChem CID3984652
Molecular FormulaC18H9Cl3F3NO2
Molecular Weight434.63 g/mol
Exact Mass432.97
IUPAC Name5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C18H9Cl3F3NO2/c19-10-2-4-13(21)14(8-10)25-17(26)16-6-5-15(27-16)9-1-3-12(20)11(7-9)18(22,23)24/h1-8H,(H,25,26)
InChIKeyJZUYXQBSMCQEEE-UHFFFAOYSA-N
XLogP7.18
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide (CID 3984652) is 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1.
What is the InChIKey of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide?
The InChIKey is JZUYXQBSMCQEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl3F3NO2/c19-10-2-4-13(21)14(8-10)25-17(26)16-6-5-15(27-16)9-1-3-12(20)11(7-9)18(22,23)24/h1-8H,(H,25,26).
What are the key properties of 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide?
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide has a molecular weight of 434.63 g/mol, XLogP of 7.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 3984652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).