2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide

C24H26FNO2 — CID 4071679

IUPAC2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C24H26FNO2/c25-20-3-5-21(6-4-20)26-23(27)15-28-22-7-1-19(2-8-22)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-8,16-18H,9-15H2,(H,26,27)
InChIKeyDRCPKBIPOBDDDR-UHFFFAOYSA-N
MW379.48 g/mol
LogP5.31
Rot. Bonds5

About 2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide

2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide (PubChem CID 4071679) has the molecular formula C24H26FNO2 and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide
PubChem CID4071679
Molecular FormulaC24H26FNO2
Molecular Weight379.48 g/mol
Exact Mass379.19
IUPAC Name2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide
SMILESO=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C24H26FNO2/c25-20-3-5-21(6-4-20)26-23(27)15-28-22-7-1-19(2-8-22)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-8,16-18H,9-15H2,(H,26,27)
InChIKeyDRCPKBIPOBDDDR-UHFFFAOYSA-N
XLogP5.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-adamantyl)phenoxy]-N-(3-hydroxyphenyl)acetamide
CID 24811214
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
[3-[[2-[4-(1-adamantyl)phenoxy]acetyl]amino]phenyl] sulfamate
CID 24811561
2-[4-(1-adamantyl)phenoxy]-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 24811559
2-[4-(4-fluorobenzoyl)phenoxy]-N-(4-hydroxyphenyl)acetamide
CID 38906195
4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate
CID 2219088
2-(4-butoxyphenoxy)-N-(4-fluorophenyl)acetamide
CID 4732741
4-[[2-(4-fluorophenoxy)acetyl]amino]benzoate
CID 7372868
N-(4-ethylphenyl)-2-(4-fluorophenoxy)acetamide
CID 893586
N-[4-(aminomethyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 16782278
N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 7795150
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 110673105

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide (CID 4071679) is 2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide is O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide?
The InChIKey is DRCPKBIPOBDDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO2/c25-20-3-5-21(6-4-20)26-23(27)15-28-22-7-1-19(2-8-22)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-8,16-18H,9-15H2,(H,26,27).
What are the key properties of 2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide?
2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide has a molecular weight of 379.48 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 4071679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).