2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide

C19H19F3N2O4 — CID 113175346

IUPAC2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2ccc(C(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C19H19F3N2O4/c1-12(25)24(14-6-4-13(5-7-14)19(20,21)22)11-18(26)23-16-9-8-15(27-2)10-17(16)28-3/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeyQSSYGJYAEPRYGK-UHFFFAOYSA-N
MW396.37 g/mol
LogP3.71
Rot. Bonds6

About 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide

2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide (PubChem CID 113175346) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
PubChem CID113175346
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC Name2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C(C)=O)c2ccc(C(F)(F)F)cc2)c(OC)c1
InChIInChI=1S/C19H19F3N2O4/c1-12(25)24(14-6-4-13(5-7-14)19(20,21)22)11-18(26)23-16-9-8-15(27-2)10-17(16)28-3/h4-10H,11H2,1-3H3,(H,23,26)
InChIKeyQSSYGJYAEPRYGK-UHFFFAOYSA-N
XLogP3.71
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(3-methoxyphenyl)acetamide
CID 113175338
2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 113180958
[2-(2,4-dimethoxyanilino)-2-oxoethyl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 9221659
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(4-ethoxyphenyl)acetamide
CID 113175341
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113175282
3-(N-acetyl-3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113135609
methyl 4-[acetyl-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 113176468
2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113174807
N-(2,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535021
2-(N-acetyl-4-methylanilino)-N-(2-methoxyphenyl)acetamide
CID 113167779
N-(4-fluoro-2-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 87000961
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dimethoxyanilino)acetamide
CID 109009526

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide (CID 113175346) is 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C(C)=O)c2ccc(C(F)(F)F)cc2)c(OC)c1.
What is the InChIKey of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is QSSYGJYAEPRYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-12(25)24(14-6-4-13(5-7-14)19(20,21)22)11-18(26)23-16-9-8-15(27-2)10-17(16)28-3/h4-10H,11H2,1-3H3,(H,23,26).
What are the key properties of 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide?
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 396.37 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113175346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).