N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

C22H19F3N2O4 — CID 24982786

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1
InChIInChI=1S/C22H19F3N2O4/c1-27(13-20(28)26-16-7-4-8-17(12-16)30-2)21(29)19-10-9-18(31-19)14-5-3-6-15(11-14)22(23,24)25/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyXUGSZHRJBCDLFW-UHFFFAOYSA-N
MW432.40 g/mol
LogP4.68
Rot. Bonds6

About N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 24982786) has the molecular formula C22H19F3N2O4 and a molecular weight of 432.40 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
PubChem CID24982786
Molecular FormulaC22H19F3N2O4
Molecular Weight432.40 g/mol
Exact Mass432.13
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1
InChIInChI=1S/C22H19F3N2O4/c1-27(13-20(28)26-16-7-4-8-17(12-16)30-2)21(29)19-10-9-18(31-19)14-5-3-6-15(11-14)22(23,24)25/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyXUGSZHRJBCDLFW-UHFFFAOYSA-N
XLogP4.68
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 54.68
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
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 43008598
2-[(4-methoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8761296
methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
CID 59654678
N-methyl-N-[(5-methylfuran-2-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 31150878
N-methyl-N-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 56777615
N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 29428114
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethylsulfanyl)benzamide
CID 9091999
2-(4-methoxyphenyl)-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]acetamide
CID 112999418
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide (CID 24982786) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is COc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
The InChIKey is XUGSZHRJBCDLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4/c1-27(13-20(28)26-16-7-4-8-17(12-16)30-2)21(29)19-10-9-18(31-19)14-5-3-6-15(11-14)22(23,24)25/h3-12H,13H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide has a molecular weight of 432.40 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 24982786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).