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

C18H10Cl2F3NO3 — CID 5262514

IUPAC5-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H10Cl2F3NO3/c19-10-1-6-13(14(20)9-10)15-7-8-16(26-15)17(25)24-11-2-4-12(5-3-11)27-18(21,22)23/h1-9H,(H,24,25)
InChIKeyVYBXLDSGHOHERU-UHFFFAOYSA-N
MW416.18 g/mol
LogP6.40
Rot. Bonds4

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

5-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide (PubChem CID 5262514) has the molecular formula C18H10Cl2F3NO3 and a molecular weight of 416.18 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
PubChem CID5262514
Molecular FormulaC18H10Cl2F3NO3
Molecular Weight416.18 g/mol
Exact Mass415.00
IUPAC Name5-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H10Cl2F3NO3/c19-10-1-6-13(14(20)9-10)15-7-8-16(26-15)17(25)24-11-2-4-12(5-3-11)27-18(21,22)23/h1-9H,(H,24,25)
InChIKeyVYBXLDSGHOHERU-UHFFFAOYSA-N
XLogP6.40
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.18
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 1321696
5-(2,4-dichlorophenyl)-N-(3,5-dimethylphenyl)furan-2-carboxamide
CID 23991423
N-[3-chloro-4-[5-(hydroxymethyl)furan-2-yl]phenyl]-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 28669866
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 17272468
5-(2,4-dichlorophenyl)-N-[3-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 9092313
2-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2678277
5-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 51057984
N-(4-bromo-2-fluorophenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2238913
5-(2,5-dichlorophenyl)-N-[4-(methylcarbamoyl)phenyl]furan-2-carboxamide
CID 9091487
5-(2,4-dichlorophenyl)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 1362346
N-(4-amino-2-chloro-6-methylphenyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 100816673
N-[4-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 17117653

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide (CID 5262514) is 5-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The InChIKey is VYBXLDSGHOHERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F3NO3/c19-10-1-6-13(14(20)9-10)15-7-8-16(26-15)17(25)24-11-2-4-12(5-3-11)27-18(21,22)23/h1-9H,(H,24,25).
What are the key properties of 5-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
5-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide has a molecular weight of 416.18 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 5262514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).