N-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide

C17H13F3N2O3 — CID 166070237

IUPACN-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide
SMILESO=C(CNC(=O)C(F)(F)F)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)16(25)21-10-14(23)22-13-9-5-4-8-12(13)15(24)11-6-2-1-3-7-11/h1-9H,10H2,(H,21,25)(H,22,23)
InChIKeyYTYARUGMXLFWFL-UHFFFAOYSA-N
MW350.30 g/mol
LogP2.53
Rot. Bonds5

About N-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide

N-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide (PubChem CID 166070237) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide
PubChem CID166070237
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC NameN-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide
SMILESO=C(CNC(=O)C(F)(F)F)Nc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C17H13F3N2O3/c18-17(19,20)16(25)21-10-14(23)22-13-9-5-4-8-12(13)15(24)11-6-2-1-3-7-11/h1-9H,10H2,(H,21,25)(H,22,23)
InChIKeyYTYARUGMXLFWFL-UHFFFAOYSA-N
XLogP2.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoylphenyl)-2-fluoroacetamide
CID 70589823
2-[[2-(2-benzoylanilino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771914
N-(2-benzoylphenyl)-3-chloropropanamide
CID 25323415
N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide
CID 4702291
1-(2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17255689
N-(2-benzoylphenyl)-2-(3-fluoro-4-methylanilino)acetamide
CID 8830519
[2-(2-benzoylanilino)-2-oxoethyl] 4-methylbenzoate
CID 7695978
N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide
CID 108933635
[2-(2-benzoylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 4989481
[2-(2-benzoylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 35947495
N-(2-benzoylphenyl)-2-(2-chlorophenyl)acetamide
CID 100633810
N-(2-benzoylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 35293064

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide (CID 166070237) is N-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide is O=C(CNC(=O)C(F)(F)F)Nc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide?
The InChIKey is YTYARUGMXLFWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c18-17(19,20)16(25)21-10-14(23)22-13-9-5-4-8-12(13)15(24)11-6-2-1-3-7-11/h1-9H,10H2,(H,21,25)(H,22,23).
What are the key properties of N-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide?
N-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide has a molecular weight of 350.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzoylanilino)-2-oxoethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 166070237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).