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

C18H9Cl3F3NO2 — CID 3643749

IUPAC5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C18H9Cl3F3NO2/c19-10-2-4-14(13(21)8-10)25-17(26)16-6-5-15(27-16)11-7-9(18(22,23)24)1-3-12(11)20/h1-8H,(H,25,26)
InChIKeyMTAFCARMHBAOTK-UHFFFAOYSA-N
MW434.63 g/mol
LogP7.18
Rot. Bonds3

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

5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide (PubChem CID 3643749) has the molecular formula C18H9Cl3F3NO2 and a molecular weight of 434.63 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide
PubChem CID3643749
Molecular FormulaC18H9Cl3F3NO2
Molecular Weight434.63 g/mol
Exact Mass432.97
IUPAC Name5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C18H9Cl3F3NO2/c19-10-2-4-14(13(21)8-10)25-17(26)16-6-5-15(27-16)11-7-9(18(22,23)24)1-3-12(11)20/h1-8H,(H,25,26)
InChIKeyMTAFCARMHBAOTK-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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Related Compounds

5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylphenyl)furan-2-carboxamide
CID 3516344
N-(5-bromo-4-methyl-2-pyridinyl)-5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 39890738
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylfuran-2-carboxamide
CID 6491179
N-(4-chloro-2-nitrophenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide
CID 5153944
3-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-1-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-en-1-one
CID 3444005
5-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,5-dichlorophenyl)furan-2-carboxamide
CID 3984652
N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2238913
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3551441
(E)-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 17111307
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylfuran-2-carboxamide
CID 4175923
5-(2,5-dichlorophenyl)-N-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 9091487
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 112521234

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide (CID 3643749) is 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide?
The InChIKey is MTAFCARMHBAOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl3F3NO2/c19-10-2-4-14(13(21)8-10)25-17(26)16-6-5-15(27-16)11-7-9(18(22,23)24)1-3-12(11)20/h1-8H,(H,25,26).
What are the key properties of 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide?
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-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-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2,4-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 3643749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).