2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide

C18H17F3N2O3 — CID 113175338

IUPAC2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C(C)=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H17F3N2O3/c1-12(24)23(15-8-6-13(7-9-15)18(19,20)21)11-17(25)22-14-4-3-5-16(10-14)26-2/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyNSDMDPPJRIHSFJ-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.71
Rot. Bonds5

About 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide

2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide (PubChem CID 113175338) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide
PubChem CID113175338
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN(C(C)=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H17F3N2O3/c1-12(24)23(15-8-6-13(7-9-15)18(19,20)21)11-17(25)22-14-4-3-5-16(10-14)26-2/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyNSDMDPPJRIHSFJ-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-3-fluoroanilino)-N-(3-methoxyphenyl)acetamide
CID 113177692
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113175346
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113175282
2-(N-acetyl-3-methylanilino)-N-(3-methoxyphenyl)acetamide
CID 113167583
2-(N-acetyl-3-methoxyanilino)-N-(4-tert-butylphenyl)acetamide
CID 113173405
methyl 4-[acetyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 113176468
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide
CID 113175341
2-(N,3-diacetylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113175504
2-(N-acetyl-2-methoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113173242
methyl 3-[acetyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 113176312
methyl 2-[acetyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]benzoate
CID 113176144
2-(N-acetyl-3,4-dimethylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113168375

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide (CID 113175338) is 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN(C(C)=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is NSDMDPPJRIHSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-12(24)23(15-8-6-13(7-9-15)18(19,20)21)11-17(25)22-14-4-3-5-16(10-14)26-2/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide?
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)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-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 113175338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).