methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate

C21H16F3NO5 — CID 19448946

IUPACmethyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccccc3C(F)(F)F)o2)cc1
InChIInChI=1S/C21H16F3NO5/c1-28-20(27)13-6-8-14(9-7-13)29-12-15-10-11-18(30-15)19(26)25-17-5-3-2-4-16(17)21(22,23)24/h2-11H,12H2,1H3,(H,25,26)
InChIKeyQNYPHMNYTBGHEO-UHFFFAOYSA-N
MW419.36 g/mol
LogP4.92
Rot. Bonds6

About methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate

methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate (PubChem CID 19448946) has the molecular formula C21H16F3NO5 and a molecular weight of 419.36 g/mol. Its IUPAC name is methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
PubChem CID19448946
Molecular FormulaC21H16F3NO5
Molecular Weight419.36 g/mol
Exact Mass419.10
IUPAC Namemethyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccccc3C(F)(F)F)o2)cc1
InChIInChI=1S/C21H16F3NO5/c1-28-20(27)13-6-8-14(9-7-13)29-12-15-10-11-18(30-15)19(26)25-17-5-3-2-4-16(17)21(22,23)24/h2-11H,12H2,1H3,(H,25,26)
InChIKeyQNYPHMNYTBGHEO-UHFFFAOYSA-N
XLogP4.92
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate with MolForge

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Related Compounds

5-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19460989
methyl 4-[[5-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19449044
5-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19463886
4-[(4-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3304613
methyl 4-[[5-[(5-chloro-2-hydroxyphenyl)carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448963
5-[(4-chloro-2-methylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19457399
methyl 1-ethyl-4-[[5-[(4-methoxycarbonylphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19449114
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43072047
5-[(4-acetylphenoxy)methyl]-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 35529765
methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19584630
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19446987
N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455386

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate (CID 19448946) is methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate is COC(=O)c1ccc(OCc2ccc(C(=O)Nc3ccccc3C(F)(F)F)o2)cc1.
What is the InChIKey of methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate?
The InChIKey is QNYPHMNYTBGHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO5/c1-28-20(27)13-6-8-14(9-7-13)29-12-15-10-11-18(30-15)19(26)25-17-5-3-2-4-16(17)21(22,23)24/h2-11H,12H2,1H3,(H,25,26).
What are the key properties of methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate?
methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate has a molecular weight of 419.36 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate is sourced from PubChem (CID 19448946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).