2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide

C24H22FNO3 — CID 9289810

IUPAC2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1CCNC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FNO3/c1-17-4-2-3-5-18(17)14-15-26-23(27)16-29-22-12-8-20(9-13-22)24(28)19-6-10-21(25)11-7-19/h2-13H,14-16H2,1H3,(H,26,27)
InChIKeySXYUMGJMTFNZOD-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.10
Rot. Bonds8

About 2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide

2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide (PubChem CID 9289810) has the molecular formula C24H22FNO3 and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide
PubChem CID9289810
Molecular FormulaC24H22FNO3
Molecular Weight391.44 g/mol
Exact Mass391.16
IUPAC Name2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1CCNC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C24H22FNO3/c1-17-4-2-3-5-18(17)14-15-26-23(27)16-29-22-12-8-20(9-13-22)24(28)19-6-10-21(25)11-7-19/h2-13H,14-16H2,1H3,(H,26,27)
InChIKeySXYUMGJMTFNZOD-UHFFFAOYSA-N
XLogP4.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide (CID 9289810) is 2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide is Cc1ccccc1CCNC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide?
The InChIKey is SXYUMGJMTFNZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO3/c1-17-4-2-3-5-18(17)14-15-26-23(27)16-29-22-12-8-20(9-13-22)24(28)19-6-10-21(25)11-7-19/h2-13H,14-16H2,1H3,(H,26,27).
What are the key properties of 2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide?
2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide has a molecular weight of 391.44 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)phenoxy]-N-[2-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 9289810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).