N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

C21H18F4N2O3 — CID 43072047

IUPACN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C(F)(F)F)c1
InChIInChI=1S/C21H18F4N2O3/c1-27(2)14-5-9-18(17(11-14)21(23,24)25)26-20(28)19-10-8-16(30-19)12-29-15-6-3-13(22)4-7-15/h3-11H,12H2,1-2H3,(H,26,28)
InChIKeyPTXPZDGRLJBRSM-UHFFFAOYSA-N
MW422.38 g/mol
LogP5.33
Rot. Bonds6

About N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 43072047) has the molecular formula C21H18F4N2O3 and a molecular weight of 422.38 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
PubChem CID43072047
Molecular FormulaC21H18F4N2O3
Molecular Weight422.38 g/mol
Exact Mass422.13
IUPAC NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C(F)(F)F)c1
InChIInChI=1S/C21H18F4N2O3/c1-27(2)14-5-9-18(17(11-14)21(23,24)25)26-20(28)19-10-8-16(30-19)12-29-15-6-3-13(22)4-7-15/h3-11H,12H2,1-2H3,(H,26,28)
InChIKeyPTXPZDGRLJBRSM-UHFFFAOYSA-N
XLogP5.33
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.38
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 78776389
methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448946
5-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19460989
N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 16547761
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 26903055
N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413042
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19463886
5-[(4-fluorophenoxy)methyl]-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]furan-2-carboxamide
CID 36579789
N-(4-bromo-2-fluorophenyl)-5-[(4-bromophenoxy)methyl]furan-2-carboxamide
CID 19413479
N-[2-(difluoromethylsulfanyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43000512
N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43009388

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (CID 43072047) is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is CN(C)c1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is PTXPZDGRLJBRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N2O3/c1-27(2)14-5-9-18(17(11-14)21(23,24)25)26-20(28)19-10-8-16(30-19)12-29-15-6-3-13(22)4-7-15/h3-11H,12H2,1-2H3,(H,26,28).
What are the key properties of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 422.38 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 43072047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).