N-(2-fluorophenyl)-2-[(3-hydroxy-1-adamantyl)amino]acetamide

C18H23FN2O2 — CID 146602994

IUPACN-(2-fluorophenyl)-2-[(3-hydroxy-1-adamantyl)amino]acetamide
SMILESO=C(CNC12CC3CC(CC(O)(C3)C1)C2)Nc1ccccc1F
InChIInChI=1S/C18H23FN2O2/c19-14-3-1-2-4-15(14)21-16(22)10-20-17-6-12-5-13(7-17)9-18(23,8-12)11-17/h1-4,12-13,20,23H,5-11H2,(H,21,22)
InChIKeyGTYPJJSZFQRLTK-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.44
Rot. Bonds4

About N-(2-fluorophenyl)-2-[(3-hydroxy-1-adamantyl)amino]acetamide

N-(2-fluorophenyl)-2-[(3-hydroxy-1-adamantyl)amino]acetamide (PubChem CID 146602994) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(3-hydroxy-1-adamantyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[(3-hydroxy-1-adamantyl)amino]acetamide
PubChem CID146602994
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC NameN-(2-fluorophenyl)-2-[(3-hydroxy-1-adamantyl)amino]acetamide
SMILESO=C(CNC12CC3CC(CC(O)(C3)C1)C2)Nc1ccccc1F
InChIInChI=1S/C18H23FN2O2/c19-14-3-1-2-4-15(14)21-16(22)10-20-17-6-12-5-13(7-17)9-18(23,8-12)11-17/h1-4,12-13,20,23H,5-11H2,(H,21,22)
InChIKeyGTYPJJSZFQRLTK-UHFFFAOYSA-N
XLogP2.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(3-hydroxy-1-adamantyl)amino]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[(3-hydroxy-1-adamantyl)amino]acetamide (CID 146602994) is N-(2-fluorophenyl)-2-[(3-hydroxy-1-adamantyl)amino]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[(3-hydroxy-1-adamantyl)amino]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[(3-hydroxy-1-adamantyl)amino]acetamide is O=C(CNC12CC3CC(CC(O)(C3)C1)C2)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[(3-hydroxy-1-adamantyl)amino]acetamide?
The InChIKey is GTYPJJSZFQRLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-14-3-1-2-4-15(14)21-16(22)10-20-17-6-12-5-13(7-17)9-18(23,8-12)11-17/h1-4,12-13,20,23H,5-11H2,(H,21,22).
What are the key properties of N-(2-fluorophenyl)-2-[(3-hydroxy-1-adamantyl)amino]acetamide?
N-(2-fluorophenyl)-2-[(3-hydroxy-1-adamantyl)amino]acetamide has a molecular weight of 318.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[(3-hydroxy-1-adamantyl)amino]acetamide is sourced from PubChem (CID 146602994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).