N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide

C18H17F3N2O3 — CID 55590785

IUPACN-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNC(=O)COc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H17F3N2O3/c1-22-17(25)13-7-5-12(6-8-13)10-23-16(24)11-26-15-4-2-3-14(9-15)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyZPOSPNLHWAUBHR-UHFFFAOYSA-N
MW366.34 g/mol
LogP2.76
Rot. Bonds6

About N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide

N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide (PubChem CID 55590785) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
PubChem CID55590785
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CNC(=O)COc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H17F3N2O3/c1-22-17(25)13-7-5-12(6-8-13)10-23-16(24)11-26-15-4-2-3-14(9-15)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyZPOSPNLHWAUBHR-UHFFFAOYSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55709132
4-[[[2-(4-tert-butylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 55575979
3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide
CID 60530584
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenoxy]acetate
CID 7853982
N-[(4-piperidin-1-ylphenyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757909
2-[4-(trifluoromethyl)phenoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55772582
2-(3-tert-butylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 112977555
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]acetamide
CID 35364913
2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052429
N-methyl-4-[[[N'-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111267064
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 133190114
3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 33203040

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide (CID 55590785) is N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide is CNC(=O)c1ccc(CNC(=O)COc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide?
The InChIKey is ZPOSPNLHWAUBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-22-17(25)13-7-5-12(6-8-13)10-23-16(24)11-26-15-4-2-3-14(9-15)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide?
N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide has a molecular weight of 366.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 55590785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).