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

C20H21F3N2O3 — CID 46686486

IUPACN,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O3/c1-3-25(4-2)19(27)14-9-11-15(12-10-14)24-18(26)13-28-17-8-6-5-7-16(17)20(21,22)23/h5-12H,3-4,13H2,1-2H3,(H,24,26)
InChIKeyCWNNMCJRCMYOOC-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.20
Rot. Bonds7

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

N,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide (PubChem CID 46686486) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
PubChem CID46686486
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC NameN,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O3/c1-3-25(4-2)19(27)14-9-11-15(12-10-14)24-18(26)13-28-17-8-6-5-7-16(17)20(21,22)23/h5-12H,3-4,13H2,1-2H3,(H,24,26)
InChIKeyCWNNMCJRCMYOOC-UHFFFAOYSA-N
XLogP4.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 164545151
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140310
N-[4-(diethylcarbamoyl)phenyl]-2-(trifluoromethyl)benzamide
CID 4785724
4-[[2-(2-tert-butylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17229672
4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 17196833
4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 34543253
N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686572
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
4-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 8503681
N,N-diethyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 8503993
N-pyridin-3-yl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 75414453

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide (CID 46686486) is N,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)COc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide?
The InChIKey is CWNNMCJRCMYOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-3-25(4-2)19(27)14-9-11-15(12-10-14)24-18(26)13-28-17-8-6-5-7-16(17)20(21,22)23/h5-12H,3-4,13H2,1-2H3,(H,24,26).
What are the key properties of N,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide?
N,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide has a molecular weight of 394.39 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide is sourced from PubChem (CID 46686486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).