N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide

C26H28FNO3 — CID 7795150

IUPACN-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H28FNO3/c27-22-5-1-20(2-6-22)25(30)21-3-7-23(8-4-21)31-15-24(29)28-16-26-12-17-9-18(13-26)11-19(10-17)14-26/h1-8,17-19H,9-16H2,(H,28,29)
InChIKeyOJQYAXXDHZIUHO-UHFFFAOYSA-N
MW421.51 g/mol
LogP4.77
Rot. Bonds7

About N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide

N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide (PubChem CID 7795150) has the molecular formula C26H28FNO3 and a molecular weight of 421.51 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
PubChem CID7795150
Molecular FormulaC26H28FNO3
Molecular Weight421.51 g/mol
Exact Mass421.21
IUPAC NameN-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H28FNO3/c27-22-5-1-20(2-6-22)25(30)21-3-7-23(8-4-21)31-15-24(29)28-16-26-12-17-9-18(13-26)11-19(10-17)14-26/h1-8,17-19H,9-16H2,(H,28,29)
InChIKeyOJQYAXXDHZIUHO-UHFFFAOYSA-N
XLogP4.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantylmethyl)-2-(4-nitrophenoxy)acetamide
CID 7502123
N-(1-adamantylmethyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 7921336
N-(1-adamantylmethyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 17494218
[2-(1-adamantylmethylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7210696
2-(1-adamantyl)-N-[2-(4-fluorophenoxy)ethyl]acetamide
CID 17381712
2-[4-(4-fluorobenzoyl)phenoxy]-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 55849523
[2-(1-adamantylmethylamino)-2-oxoethyl] 4-phenoxybenzoate
CID 7859627
N-(1-adamantylmethyl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 7921272
2-[4-(1-adamantyl)phenoxy]-N-(4-fluorophenyl)acetamide
CID 4071679
2-[4-(4-fluorobenzoyl)phenoxy]-N-(thiophen-2-ylmethyl)acetamide
CID 2427182
N-(1-adamantylmethyl)-3-phenoxypropanamide
CID 26202952
N-[2-(1-adamantyl)ethyl]-2-phenoxyacetamide
CID 2921835

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide (CID 7795150) is N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide is O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
The InChIKey is OJQYAXXDHZIUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO3/c27-22-5-1-20(2-6-22)25(30)21-3-7-23(8-4-21)31-15-24(29)28-16-26-12-17-9-18(13-26)11-19(10-17)14-26/h1-8,17-19H,9-16H2,(H,28,29).
What are the key properties of N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide?
N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide has a molecular weight of 421.51 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[4-(4-fluorobenzoyl)phenoxy]acetamide is sourced from PubChem (CID 7795150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).