N-(1-adamantyl)-2-(4-bromophenoxy)acetamide

C18H22BrNO2 — CID 2878013

IUPACN-(1-adamantyl)-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22BrNO2/c19-15-1-3-16(4-2-15)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)
InChIKeyJWBHRIJEPQFWBR-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.91
Rot. Bonds4

About N-(1-adamantyl)-2-(4-bromophenoxy)acetamide

N-(1-adamantyl)-2-(4-bromophenoxy)acetamide (PubChem CID 2878013) has the molecular formula C18H22BrNO2 and a molecular weight of 364.28 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(4-bromophenoxy)acetamide
PubChem CID2878013
Molecular FormulaC18H22BrNO2
Molecular Weight364.28 g/mol
Exact Mass363.08
IUPAC NameN-(1-adamantyl)-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22BrNO2/c19-15-1-3-16(4-2-15)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)
InChIKeyJWBHRIJEPQFWBR-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-(1-adamantyl)-2-(4-bromophenoxy)acetamide (CID 2878013) is N-(1-adamantyl)-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(4-bromophenoxy)acetamide is O=C(COc1ccc(Br)cc1)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(4-bromophenoxy)acetamide?
The InChIKey is JWBHRIJEPQFWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO2/c19-15-1-3-16(4-2-15)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-(4-bromophenoxy)acetamide?
N-(1-adamantyl)-2-(4-bromophenoxy)acetamide has a molecular weight of 364.28 g/mol, XLogP of 3.91, 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-(4-bromophenoxy)acetamide is sourced from PubChem (CID 2878013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).