2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

C22H23F3N2O5 — CID 26730530

IUPAC2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C22H23F3N2O5/c1-4-9-27(11-19(29)26-16-7-6-15(23)21(24)22(16)25)20(30)12-32-17-8-5-14(13(2)28)10-18(17)31-3/h5-8,10H,4,9,11-12H2,1-3H3,(H,26,29)
InChIKeySYUPRBBAQJMEGQ-UHFFFAOYSA-N
MW452.43 g/mol
LogP3.57
Rot. Bonds10

About 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 26730530) has the molecular formula C22H23F3N2O5 and a molecular weight of 452.43 g/mol. Its IUPAC name is 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID26730530
Molecular FormulaC22H23F3N2O5
Molecular Weight452.43 g/mol
Exact Mass452.16
IUPAC Name2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C22H23F3N2O5/c1-4-9-27(11-19(29)26-16-7-6-15(23)21(24)22(16)25)20(30)12-32-17-8-5-14(13(2)28)10-18(17)31-3/h5-8,10H,4,9,11-12H2,1-3H3,(H,26,29)
InChIKeySYUPRBBAQJMEGQ-UHFFFAOYSA-N
XLogP3.57
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 29403471
3-bromo-4-methoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773146
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 26730465
3,4-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 112790057
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 42373991
4-ethoxy-3-nitro-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 46554944
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3,4-dimethoxybenzoate
CID 2349931
3-acetamido-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773105
4-iodo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773080
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyridine-4-carboxamide
CID 27773073
2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 26730530) is 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)COc1ccc(C(C)=O)cc1OC.
What is the InChIKey of 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is SYUPRBBAQJMEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O5/c1-4-9-27(11-19(29)26-16-7-6-15(23)21(24)22(16)25)20(30)12-32-17-8-5-14(13(2)28)10-18(17)31-3/h5-8,10H,4,9,11-12H2,1-3H3,(H,26,29).
What are the key properties of 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 452.43 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetyl-2-methoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 26730530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).