2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C19H18ClF3N2O2 — CID 113169161

IUPAC2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(C)=O
InChIInChI=1S/C19H18ClF3N2O2/c1-3-13-6-4-5-7-17(13)25(12(2)26)11-18(27)24-16-10-14(19(21,22)23)8-9-15(16)20/h4-10H,3,11H2,1-2H3,(H,24,27)
InChIKeyZPZZKWXEBIWWHH-UHFFFAOYSA-N
MW398.81 g/mol
LogP4.91
Rot. Bonds5

About 2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 113169161) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is 2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID113169161
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC Name2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCCc1ccccc1N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(C)=O
InChIInChI=1S/C19H18ClF3N2O2/c1-3-13-6-4-5-7-17(13)25(12(2)26)11-18(27)24-16-10-14(19(21,22)23)8-9-15(16)20/h4-10H,3,11H2,1-2H3,(H,24,27)
InChIKeyZPZZKWXEBIWWHH-UHFFFAOYSA-N
XLogP4.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,3-dimethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113168967
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2194413
2-[acetyl(tert-butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113166205
2-[acetyl(1-phenylethyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113162087
2-(N-acetyl-2-ethylanilino)-N-(2-methylphenyl)acetamide
CID 113169101
2-(N-acetyl-2-methylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 113167437
2-[butyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 109006150
2-[benzenesulfonyl(methyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315546
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8711935
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113000084
2-(N-acetyl-2-ethylanilino)-N-phenylacetamide
CID 113169100
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 113161698

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 113169161) is 2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is CCc1ccccc1N(CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C(C)=O.
What is the InChIKey of 2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZPZZKWXEBIWWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c1-3-13-6-4-5-7-17(13)25(12(2)26)11-18(27)24-16-10-14(19(21,22)23)8-9-15(16)20/h4-10H,3,11H2,1-2H3,(H,24,27).
What are the key properties of 2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 398.81 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-ethylanilino)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113169161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).