2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

C18H17F3N2O3 — CID 113173242

IUPAC2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)C(C)=O
InChIInChI=1S/C18H17F3N2O3/c1-12(24)23(15-8-3-4-9-16(15)26-2)11-17(25)22-14-7-5-6-13(10-14)18(19,20)21/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyWRTLUKAYQBKQRH-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.71
Rot. Bonds5

About 2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 113173242) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID113173242
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)C(C)=O
InChIInChI=1S/C18H17F3N2O3/c1-12(24)23(15-8-3-4-9-16(15)26-2)11-17(25)22-14-7-5-6-13(10-14)18(19,20)21/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyWRTLUKAYQBKQRH-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-2-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113170844
2-(N-acetyl-3,4-dimethylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113168375
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide
CID 113175338
2-(N-acetyl-2-methoxyanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113173267
methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 113176144
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698870
2-(N-acetyl-2-ethoxyanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113173805
2-[N-acetyl-2-(trifluoromethyl)anilino]-N-(3-methylphenyl)acetamide
CID 113175034
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(3-fluorophenyl)acetamide
CID 113174325
2-(N-acetyl-2,5-dimethoxyanilino)-N-(3-fluorophenyl)acetamide
CID 113174637
3-(N-acetyl-2-methoxyanilino)-N-(3-acetylphenyl)propanamide
CID 113128829
2-[(2-methoxyphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108998373

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 113173242) is 2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is COc1ccccc1N(CC(=O)Nc1cccc(C(F)(F)F)c1)C(C)=O.
What is the InChIKey of 2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WRTLUKAYQBKQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-12(24)23(15-8-3-4-9-16(15)26-2)11-17(25)22-14-7-5-6-13(10-14)18(19,20)21/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of 2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 366.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 113173242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).