N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

C23H21F3N2O4 — CID 112790564

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)o1
InChIInChI=1S/C23H21F3N2O4/c1-15-6-9-20(32-15)13-28(2)22(30)16-7-10-19(11-8-16)31-14-21(29)27-18-5-3-4-17(12-18)23(24,25)26/h3-12H,13-14H2,1-2H3,(H,27,29)
InChIKeyNDVFYVDXERKSAE-UHFFFAOYSA-N
MW446.43 g/mol
LogP4.90
Rot. Bonds7

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (PubChem CID 112790564) has the molecular formula C23H21F3N2O4 and a molecular weight of 446.43 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
PubChem CID112790564
Molecular FormulaC23H21F3N2O4
Molecular Weight446.43 g/mol
Exact Mass446.15
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)o1
InChIInChI=1S/C23H21F3N2O4/c1-15-6-9-20(32-15)13-28(2)22(30)16-7-10-19(11-8-16)31-14-21(29)27-18-5-3-4-17(12-18)23(24,25)26/h3-12H,13-14H2,1-2H3,(H,27,29)
InChIKeyNDVFYVDXERKSAE-UHFFFAOYSA-N
XLogP4.90
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 55523564
2-[4-[[methyl(methylsulfonyl)amino]methyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21366819
N-(2-ethyl-6-methylphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 112762733
2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2126324
N-[4-(dimethylamino)butan-2-yl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 86945816
4-[[2-(4-bromophenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639192
2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4733098
2-[4-(pyrrolidine-1-carbothioyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126247714
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1149747
3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167723
N-cyclohexyl-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 2194102

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide (CID 112790564) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is Cc1ccc(CN(C)C(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
The InChIKey is NDVFYVDXERKSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O4/c1-15-6-9-20(32-15)13-28(2)22(30)16-7-10-19(11-8-16)31-14-21(29)27-18-5-3-4-17(12-18)23(24,25)26/h3-12H,13-14H2,1-2H3,(H,27,29).
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide has a molecular weight of 446.43 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide is sourced from PubChem (CID 112790564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).