N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C20H16F3NO4 — CID 9096716

IUPACN-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc(OC)c1
InChIInChI=1S/C20H16F3NO4/c1-26-15-9-14(10-16(11-15)27-2)24-19(25)18-7-6-17(28-18)12-4-3-5-13(8-12)20(21,22)23/h3-11H,1-2H3,(H,24,25)
InChIKeyVKKCJWRJXZIAAF-UHFFFAOYSA-N
MW391.35 g/mol
LogP5.23
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 9096716) has the molecular formula C20H16F3NO4 and a molecular weight of 391.35 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID9096716
Molecular FormulaC20H16F3NO4
Molecular Weight391.35 g/mol
Exact Mass391.10
IUPAC NameN-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc(OC)c1
InChIInChI=1S/C20H16F3NO4/c1-26-15-9-14(10-16(11-15)27-2)24-19(25)18-7-6-17(28-18)12-4-3-5-13(8-12)20(21,22)23/h3-11H,1-2H3,(H,24,25)
InChIKeyVKKCJWRJXZIAAF-UHFFFAOYSA-N
XLogP5.23
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.35
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
CID 59654678
N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 29428114
N-[4-(diethylamino)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 5262527
N-(2-chloro-4,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 18225514
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 24982786
N-(3-sulfamoylphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 4789221
N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55783153
1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871805
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
1-(3,5-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 971869
N-(3,5-dimethoxyphenyl)-5-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 177358680

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 9096716) is N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is COc1cc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is VKKCJWRJXZIAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO4/c1-26-15-9-14(10-16(11-15)27-2)24-19(25)18-7-6-17(28-18)12-4-3-5-13(8-12)20(21,22)23/h3-11H,1-2H3,(H,24,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 9096716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).