2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide

C19H19F3N2O3 — CID 113174499

IUPAC2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H19F3N2O3/c1-11(2)27-14-6-4-13(5-7-14)24(12(3)25)10-17(26)23-16-9-8-15(20)18(21)19(16)22/h4-9,11H,10H2,1-3H3,(H,23,26)
InChIKeyMYZAHVMLOSZFRD-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.88
Rot. Bonds6

About 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide

2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 113174499) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID113174499
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H19F3N2O3/c1-11(2)27-14-6-4-13(5-7-14)24(12(3)25)10-17(26)23-16-9-8-15(20)18(21)19(16)22/h4-9,11H,10H2,1-3H3,(H,23,26)
InChIKeyMYZAHVMLOSZFRD-UHFFFAOYSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 113174500
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(4-fluorophenyl)acetamide
CID 113174445
2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113171603
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2-ethylphenyl)acetamide
CID 113174433
2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113179533
2-(N-acetyl-3-fluoroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113177755
2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide
CID 113174353
2-(N-acetyl-3,4-difluoroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113181683
2-(N-acetyl-2,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113174807
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113174441
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113174436
2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113181013

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide (CID 113174499) is 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(F)c(F)c1F)c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is MYZAHVMLOSZFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-11(2)27-14-6-4-13(5-7-14)24(12(3)25)10-17(26)23-16-9-8-15(20)18(21)19(16)22/h4-9,11H,10H2,1-3H3,(H,23,26).
What are the key properties of 2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide?
2-(N-acetyl-4-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 380.37 g/mol, XLogP of 3.88, 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-propan-2-yloxyanilino)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 113174499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).