N-(1-adamantyl)-2-(4-fluorophenyl)-2-methoxyacetamide

C19H24FNO2 — CID 43902743

IUPACN-(1-adamantyl)-2-(4-fluorophenyl)-2-methoxyacetamide
SMILESCOC(C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1
InChIInChI=1S/C19H24FNO2/c1-23-17(15-2-4-16(20)5-3-15)18(22)21-19-9-12-6-13(10-19)8-14(7-12)11-19/h2-5,12-14,17H,6-11H2,1H3,(H,21,22)
InChIKeyVUNKNQGVTCRLJN-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.60
Rot. Bonds4

About N-(1-adamantyl)-2-(4-fluorophenyl)-2-methoxyacetamide

N-(1-adamantyl)-2-(4-fluorophenyl)-2-methoxyacetamide (PubChem CID 43902743) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(4-fluorophenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(4-fluorophenyl)-2-methoxyacetamide
PubChem CID43902743
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC NameN-(1-adamantyl)-2-(4-fluorophenyl)-2-methoxyacetamide
SMILESCOC(C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1
InChIInChI=1S/C19H24FNO2/c1-23-17(15-2-4-16(20)5-3-15)18(22)21-19-9-12-6-13(10-19)8-14(7-12)11-19/h2-5,12-14,17H,6-11H2,1H3,(H,21,22)
InChIKeyVUNKNQGVTCRLJN-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.60
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-fluorophenyl)-2-methoxyacetamide?
The IUPAC name of N-(1-adamantyl)-2-(4-fluorophenyl)-2-methoxyacetamide (CID 43902743) is N-(1-adamantyl)-2-(4-fluorophenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(4-fluorophenyl)-2-methoxyacetamide?
The canonical SMILES for N-(1-adamantyl)-2-(4-fluorophenyl)-2-methoxyacetamide is COC(C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1.
What is the InChIKey of N-(1-adamantyl)-2-(4-fluorophenyl)-2-methoxyacetamide?
The InChIKey is VUNKNQGVTCRLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO2/c1-23-17(15-2-4-16(20)5-3-15)18(22)21-19-9-12-6-13(10-19)8-14(7-12)11-19/h2-5,12-14,17H,6-11H2,1H3,(H,21,22).
What are the key properties of N-(1-adamantyl)-2-(4-fluorophenyl)-2-methoxyacetamide?
N-(1-adamantyl)-2-(4-fluorophenyl)-2-methoxyacetamide has a molecular weight of 317.40 g/mol, XLogP of 3.60, 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-fluorophenyl)-2-methoxyacetamide is sourced from PubChem (CID 43902743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).