N-(1-adamantyl)-2-(2-fluorophenoxy)acetamide

C18H22FNO2 — CID 2968977

IUPACN-(1-adamantyl)-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22FNO2/c19-15-3-1-2-4-16(15)22-11-17(21)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)
InChIKeyIREBNHBMTXTCJO-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.29
Rot. Bonds4

About N-(1-adamantyl)-2-(2-fluorophenoxy)acetamide

N-(1-adamantyl)-2-(2-fluorophenoxy)acetamide (PubChem CID 2968977) has the molecular formula C18H22FNO2 and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(2-fluorophenoxy)acetamide
PubChem CID2968977
Molecular FormulaC18H22FNO2
Molecular Weight303.38 g/mol
Exact Mass303.16
IUPAC NameN-(1-adamantyl)-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22FNO2/c19-15-3-1-2-4-16(15)22-11-17(21)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21)
InChIKeyIREBNHBMTXTCJO-UHFFFAOYSA-N
XLogP3.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Adamantan-1-yl-3-[4-(4-fluorophenoxy)butyl]urea
CID 16756389
N-(1-Adamantyl)-2-phenoxyacetamide
CID 4042330
[2-(1-Adamantylamino)-2-oxoethyl] 2-phenoxyacetate
CID 5158793
[2-(1-Adamantylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 4803819
Cambridge id 6997811
CID 2922073
N-[(2-methyl-2-adamantyl)methyl]-2-phenoxyacetamide
CID 801398
N-2-adamantyl-2-(4-methoxyphenoxy)acetamide
CID 883714
N-adamantanyl-2-(4-chlorophenoxy)acetamide
CID 2847411
N-1-adamantyl-2-(4-methylphenoxy)acetamide
CID 2877996
N-1-adamantyl-2-(4-bromophenoxy)acetamide
CID 2878013
N-(1-adamantyl)-2-phenoxypropanamide
CID 2897874
N-(1-adamantylmethyl)-N-methyl-2-phenoxyacetamide
CID 2969038

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(2-fluorophenoxy)acetamide (CID 2968977) is N-(1-adamantyl)-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(2-fluorophenoxy)acetamide?
The InChIKey is IREBNHBMTXTCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO2/c19-15-3-1-2-4-16(15)22-11-17(21)20-18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,12-14H,5-11H2,(H,20,21).
What are the key properties of N-(1-adamantyl)-2-(2-fluorophenoxy)acetamide?
N-(1-adamantyl)-2-(2-fluorophenoxy)acetamide has a molecular weight of 303.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 2968977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).