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

C18H17F3N2O3 — CID 55523564

IUPACN,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)COc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H17F3N2O3/c1-23(2)17(25)12-4-3-5-14(10-12)22-16(24)11-26-15-8-6-13(7-9-15)18(19,20)21/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyFHRNBHGXFDNQKT-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.42
Rot. Bonds5

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

N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide (PubChem CID 55523564) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
PubChem CID55523564
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)COc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H17F3N2O3/c1-23(2)17(25)12-4-3-5-14(10-12)22-16(24)11-26-15-8-6-13(7-9-15)18(19,20)21/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyFHRNBHGXFDNQKT-UHFFFAOYSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-acetylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 32627222
N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467642
N-[3-(phenylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55524065
3-[[2-(6-bromonaphthalen-2-yl)oxyacetyl]amino]-N,N-dimethylbenzamide
CID 29464616
3-[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]-N,N-dimethylbenzamide
CID 29454663
N,N-dimethyl-3-[(2-quinolin-6-yloxyacetyl)amino]benzamide
CID 60595070
3-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 17231891
3-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167940
4-[[2-(4-tert-butylphenoxy)acetyl]amino]-N,N-dimethylbenzamide
CID 7703623
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
N-[4-(dimethylamino)butan-2-yl]-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 86945816

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide (CID 55523564) is N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide is CN(C)C(=O)c1cccc(NC(=O)COc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide?
The InChIKey is FHRNBHGXFDNQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-23(2)17(25)12-4-3-5-14(10-12)22-16(24)11-26-15-8-6-13(7-9-15)18(19,20)21/h3-10H,11H2,1-2H3,(H,22,24).
What are the key properties of N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide?
N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide has a molecular weight of 366.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide is sourced from PubChem (CID 55523564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).