2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide

C20H22FNO3 — CID 112774602

IUPAC2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H22FNO3/c1-13(23)17-11-15(21)7-10-18(17)25-12-19(24)22-16-8-5-14(6-9-16)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyAJDMUOZCLDDXGZ-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.34
Rot. Bonds5

About 2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide

2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide (PubChem CID 112774602) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide
PubChem CID112774602
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide
SMILESCC(=O)c1cc(F)ccc1OCC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H22FNO3/c1-13(23)17-11-15(21)7-10-18(17)25-12-19(24)22-16-8-5-14(6-9-16)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyAJDMUOZCLDDXGZ-UHFFFAOYSA-N
XLogP4.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438477
2-(2,4-difluorophenoxy)-N-(4-fluorophenyl)acetamide
CID 580280
2-(2-acetyl-4-fluorophenoxy)-N-propylacetamide
CID 71628000
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
2-(2-bromo-4-tert-butylphenoxy)-N-[4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]phenyl]acetamide
CID 17350659
N-(4-tert-butylphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7914312
2-(2-acetyl-4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide
CID 112774643
2-(2-acetyl-4-fluorophenoxy)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 112774554
2-(2-tert-butyl-5-methylphenoxy)-N-(4-fluorophenyl)acetamide
CID 675188
2-(2-chloro-4-fluorophenoxy)-N-(4-methylphenyl)acetamide
CID 9402450
methyl 2-[2-(4-tert-butylanilino)-2-oxoethoxy]-4-methoxybenzoate
CID 7704907
4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221634

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide?
The IUPAC name of 2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide (CID 112774602) is 2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide?
The canonical SMILES for 2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide is CC(=O)c1cc(F)ccc1OCC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide?
The InChIKey is AJDMUOZCLDDXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-13(23)17-11-15(21)7-10-18(17)25-12-19(24)22-16-8-5-14(6-9-16)20(2,3)4/h5-11H,12H2,1-4H3,(H,22,24).
What are the key properties of 2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide?
2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide has a molecular weight of 343.40 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-fluorophenoxy)-N-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 112774602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).