N-(1-adamantyl)-4-bromo-2-(hydroxymethyl)benzamide

C18H22BrNO2 — CID 118215716

IUPACN-(1-adamantyl)-4-bromo-2-(hydroxymethyl)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1CO
InChIInChI=1S/C18H22BrNO2/c19-15-1-2-16(14(6-15)10-21)17(22)20-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13,21H,3-5,7-10H2,(H,20,22)
InChIKeyRDMFJIJDQZZUMW-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.64
Rot. Bonds3

About N-(1-adamantyl)-4-bromo-2-(hydroxymethyl)benzamide

N-(1-adamantyl)-4-bromo-2-(hydroxymethyl)benzamide (PubChem CID 118215716) has the molecular formula C18H22BrNO2 and a molecular weight of 364.28 g/mol. Its IUPAC name is N-(1-adamantyl)-4-bromo-2-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-bromo-2-(hydroxymethyl)benzamide
PubChem CID118215716
Molecular FormulaC18H22BrNO2
Molecular Weight364.28 g/mol
Exact Mass363.08
IUPAC NameN-(1-adamantyl)-4-bromo-2-(hydroxymethyl)benzamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1CO
InChIInChI=1S/C18H22BrNO2/c19-15-1-2-16(14(6-15)10-21)17(22)20-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13,21H,3-5,7-10H2,(H,20,22)
InChIKeyRDMFJIJDQZZUMW-UHFFFAOYSA-N
XLogP3.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-bromo-2-(hydroxymethyl)benzamide?
The IUPAC name of N-(1-adamantyl)-4-bromo-2-(hydroxymethyl)benzamide (CID 118215716) is N-(1-adamantyl)-4-bromo-2-(hydroxymethyl)benzamide.
What is the SMILES notation for N-(1-adamantyl)-4-bromo-2-(hydroxymethyl)benzamide?
The canonical SMILES for N-(1-adamantyl)-4-bromo-2-(hydroxymethyl)benzamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1CO.
What is the InChIKey of N-(1-adamantyl)-4-bromo-2-(hydroxymethyl)benzamide?
The InChIKey is RDMFJIJDQZZUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO2/c19-15-1-2-16(14(6-15)10-21)17(22)20-18-7-11-3-12(8-18)5-13(4-11)9-18/h1-2,6,11-13,21H,3-5,7-10H2,(H,20,22).
What are the key properties of N-(1-adamantyl)-4-bromo-2-(hydroxymethyl)benzamide?
N-(1-adamantyl)-4-bromo-2-(hydroxymethyl)benzamide has a molecular weight of 364.28 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-bromo-2-(hydroxymethyl)benzamide is sourced from PubChem (CID 118215716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).