2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

C18H19F3N2O2 — CID 54822451

IUPAC2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)Oc1ccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O2/c1-12(2)25-16-8-6-14(7-9-16)22-11-17(24)23-15-5-3-4-13(10-15)18(19,20)21/h3-10,12,22H,11H2,1-2H3,(H,23,24)
InChIKeyXFHQVSAORPEKCN-UHFFFAOYSA-N
MW352.36 g/mol
LogP4.54
Rot. Bonds6

About 2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 54822451) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID54822451
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)Oc1ccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H19F3N2O2/c1-12(2)25-16-8-6-14(7-9-16)22-11-17(24)23-15-5-3-4-13(10-15)18(19,20)21/h3-10,12,22H,11H2,1-2H3,(H,23,24)
InChIKeyXFHQVSAORPEKCN-UHFFFAOYSA-N
XLogP4.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
N-(4-propan-2-yloxyphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108987361
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
2-(4-heptoxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54821633
3-[[2-[4-(2-methylpropanoylamino)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54833107
3-[[2-[4-(3-methylbutanoylamino)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54832794
2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 39419759
N-(3-methylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7409922
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56550067
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833466
N-(3-ethoxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833710

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 54822451) is 2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is CC(C)Oc1ccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XFHQVSAORPEKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-12(2)25-16-8-6-14(7-9-16)22-11-17(24)23-15-5-3-4-13(10-15)18(19,20)21/h3-10,12,22H,11H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 352.36 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yloxyanilino)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 54822451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).