N-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide

C15H19F3N2O3 — CID 87006551

IUPACN-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)COCC(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O3/c1-14(2,3)20-13(22)10-5-4-6-11(7-10)19-12(21)8-23-9-15(16,17)18/h4-7H,8-9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyKIADBUBZEOCFHK-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.73
Rot. Bonds5

About N-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide

N-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide (PubChem CID 87006551) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide
PubChem CID87006551
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC NameN-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1cccc(NC(=O)COCC(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O3/c1-14(2,3)20-13(22)10-5-4-6-11(7-10)19-12(21)8-23-9-15(16,17)18/h4-7H,8-9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyKIADBUBZEOCFHK-UHFFFAOYSA-N
XLogP2.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[(2-methoxyacetyl)amino]benzamide
CID 47251267
N-tert-butyl-3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833776
N-tert-butyl-3-[[2-(2-methoxyphenoxy)acetyl]amino]benzamide
CID 9323551
N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87027979
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 28639773
N-tert-butyl-3-[[2-(4,5-difluoro-2-hydroxyphenyl)acetyl]amino]benzamide
CID 139348508
N-tert-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810230
N-tert-butyl-3-[[2-[5-(1,1-difluoroethyl)-2-hydroxyphenyl]acetyl]amino]benzamide
CID 167263462
N-tert-butyl-3-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 9323564
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750
N-tert-butyl-3-[[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844494
N-tert-butyl-3-(4-phenoxybutanoylamino)benzamide
CID 87006557

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide?
The IUPAC name of N-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide (CID 87006551) is N-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide is CC(C)(C)NC(=O)c1cccc(NC(=O)COCC(F)(F)F)c1.
What is the InChIKey of N-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide?
The InChIKey is KIADBUBZEOCFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-14(2,3)20-13(22)10-5-4-6-11(7-10)19-12(21)8-23-9-15(16,17)18/h4-7H,8-9H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide?
N-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide has a molecular weight of 332.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzamide is sourced from PubChem (CID 87006551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).