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

C21H25F3N2O2 — CID 54833824

IUPACN-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCCCCCCOc1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C21H25F3N2O2/c1-2-3-4-5-13-28-19-11-9-17(10-12-19)26-20(27)15-25-18-8-6-7-16(14-18)21(22,23)24/h6-12,14,25H,2-5,13,15H2,1H3,(H,26,27)
InChIKeyLECYIJQONSDFMC-UHFFFAOYSA-N
MW394.44 g/mol
LogP5.72
Rot. Bonds10

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

N-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 54833824) has the molecular formula C21H25F3N2O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID54833824
Molecular FormulaC21H25F3N2O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC NameN-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCCCCCCOc1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C21H25F3N2O2/c1-2-3-4-5-13-28-19-11-9-17(10-12-19)26-20(27)15-25-18-8-6-7-16(14-18)21(22,23)24/h6-12,14,25H,2-5,13,15H2,1H3,(H,26,27)
InChIKeyLECYIJQONSDFMC-UHFFFAOYSA-N
XLogP5.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.44
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-heptoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54821633
3-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844272
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56550067
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
3-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842615
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
2-(3-heptoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54829257
2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54823633
N-[3-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 54839241
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
3-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54844347

Frequently Asked Questions

What is the IUPAC name of N-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide (CID 54833824) is N-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide is CCCCCCOc1ccc(NC(=O)CNc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is LECYIJQONSDFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O2/c1-2-3-4-5-13-28-19-11-9-17(10-12-19)26-20(27)15-25-18-8-6-7-16(14-18)21(22,23)24/h6-12,14,25H,2-5,13,15H2,1H3,(H,26,27).
What are the key properties of N-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide?
N-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 394.44 g/mol, XLogP of 5.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 54833824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).