2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide

C14H16ClF3N2O3 — CID 113179340

IUPAC2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C(C)=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O3/c1-9(21)20(8-13(22)19-5-6-23-2)12-4-3-10(15)7-11(12)14(16,17)18/h3-4,7H,5-6,8H2,1-2H3,(H,19,22)
InChIKeyVOOOOWPSQLMEQW-UHFFFAOYSA-N
MW352.74 g/mol
LogP2.47
Rot. Bonds6

About 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide

2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide (PubChem CID 113179340) has the molecular formula C14H16ClF3N2O3 and a molecular weight of 352.74 g/mol. Its IUPAC name is 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
PubChem CID113179340
Molecular FormulaC14H16ClF3N2O3
Molecular Weight352.74 g/mol
Exact Mass352.08
IUPAC Name2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C(C)=O)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O3/c1-9(21)20(8-13(22)19-5-6-23-2)12-4-3-10(15)7-11(12)14(16,17)18/h3-4,7H,5-6,8H2,1-2H3,(H,19,22)
InChIKeyVOOOOWPSQLMEQW-UHFFFAOYSA-N
XLogP2.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.74
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide
CID 113179362
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylacetamide
CID 113179338
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide
CID 113179357
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113175030
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127820
2-(N-acetyl-2,5-dimethylanilino)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 113168215
2-(N-acetyl-3,4-dichloroanilino)-N-(2-methoxyethyl)acetamide
CID 113179416
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 113179388
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127671
2-(N-acetyl-2-ethylanilino)-N-(2-methoxyethyl)acetamide
CID 113169024
N-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113179337
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
CID 113179355

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide (CID 113179340) is 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C(C)=O)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide?
The InChIKey is VOOOOWPSQLMEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O3/c1-9(21)20(8-13(22)19-5-6-23-2)12-4-3-10(15)7-11(12)14(16,17)18/h3-4,7H,5-6,8H2,1-2H3,(H,19,22).
What are the key properties of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide?
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide has a molecular weight of 352.74 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 113179340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).