N-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide

C20H21F3N2O3 — CID 100758130

IUPACN-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O3/c1-19(2,3)25-18(27)15-9-4-5-10-16(15)24-17(26)12-28-14-8-6-7-13(11-14)20(21,22)23/h4-11H,12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyIBDVCEPNEFSMNQ-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.25
Rot. Bonds5

About N-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide

N-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide (PubChem CID 100758130) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
PubChem CID100758130
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC NameN-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H21F3N2O3/c1-19(2,3)25-18(27)15-9-4-5-10-16(15)24-17(26)12-28-14-8-6-7-13(11-14)20(21,22)23/h4-11H,12H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyIBDVCEPNEFSMNQ-UHFFFAOYSA-N
XLogP4.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(3-tert-butylphenoxy)acetyl]amino]benzoate
CID 112977644
N-[2-(ethylaminomethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 119439280
N-(2-methyl-3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9393928
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34281761
N-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 7980515
2-(3-tert-butylphenoxy)-N-(2-ethylphenyl)acetamide
CID 112977620
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
ethyl 4-methyl-3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzoate
CID 100757931
N-(2-methyl-1-phenylpropan-2-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758798
2-fluoro-N-[2-oxo-2-[2-[2-[3-(trifluoromethyl)phenoxy]acetyl]hydrazinyl]ethyl]benzamide
CID 18228275
N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 16522774
N-(5-acetamido-2-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55915573

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide (CID 100758130) is N-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide?
The InChIKey is IBDVCEPNEFSMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-19(2,3)25-18(27)15-9-4-5-10-16(15)24-17(26)12-28-14-8-6-7-13(11-14)20(21,22)23/h4-11H,12H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide?
N-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide has a molecular weight of 394.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide is sourced from PubChem (CID 100758130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).