2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

C19H18ClF3N2O2 — CID 113168215

IUPAC2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1cc(C)ccc1C
InChIInChI=1S/C19H18ClF3N2O2/c1-11-4-5-12(2)17(8-11)25(13(3)26)10-18(27)24-16-7-6-14(20)9-15(16)19(21,22)23/h4-9H,10H2,1-3H3,(H,24,27)
InChIKeyJTIQPUXQCOQQFY-UHFFFAOYSA-N
MW398.81 g/mol
LogP4.97
Rot. Bonds4

About 2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide

2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide (PubChem CID 113168215) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is 2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
PubChem CID113168215
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC Name2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1cc(C)ccc1C
InChIInChI=1S/C19H18ClF3N2O2/c1-11-4-5-12(2)17(8-11)25(13(3)26)10-18(27)24-16-7-6-14(20)9-15(16)19(21,22)23/h4-9H,10H2,1-3H3,(H,24,27)
InChIKeyJTIQPUXQCOQQFY-UHFFFAOYSA-N
XLogP4.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113168161
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 113175063
2-(N-acetyl-5-chloro-2-methylanilino)-N-(4-methylphenyl)acetamide
CID 113171908
2-(N-acetyl-2,5-dimethylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113168163
2-(N-acetyl-4-chloro-2-methylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113172103
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 113179388
2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113171939
2-(N-acetyl-2-fluoroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 113170823
2-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 113172115
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 113179340
2-[acetyl(3-methylbutyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 113166628
2-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 113167944

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide (CID 113168215) is 2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide is CC(=O)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1cc(C)ccc1C.
What is the InChIKey of 2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JTIQPUXQCOQQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c1-11-4-5-12(2)17(8-11)25(13(3)26)10-18(27)24-16-7-6-14(20)9-15(16)19(21,22)23/h4-9H,10H2,1-3H3,(H,24,27).
What are the key properties of 2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide?
2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 398.81 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113168215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).