N-[(5S,7R)-3-fluoro-1-adamantyl]acetamide

C12H18FNO — CID 102366665

IUPACN-[(5S,7R)-3-fluoro-1-adamantyl]acetamide
SMILESCC(=O)NC12C[C@@H]3C[C@@H](CC(F)(C3)C1)C2
InChIInChI=1S/C12H18FNO/c1-8(15)14-12-5-9-2-10(6-12)4-11(13,3-9)7-12/h9-10H,2-7H2,1H3,(H,14,15)/t9-,10+,11?,12?
InChIKeyFGICIOIKPNUROT-ZYANWLCNSA-N
MW211.28 g/mol
LogP2.18
Rot. Bonds1

About N-[(5S,7R)-3-fluoro-1-adamantyl]acetamide

N-[(5S,7R)-3-fluoro-1-adamantyl]acetamide (PubChem CID 102366665) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is N-[(5S,7R)-3-fluoro-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-[(5S,7R)-3-fluoro-1-adamantyl]acetamide
PubChem CID102366665
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC NameN-[(5S,7R)-3-fluoro-1-adamantyl]acetamide
SMILESCC(=O)NC12C[C@@H]3C[C@@H](CC(F)(C3)C1)C2
InChIInChI=1S/C12H18FNO/c1-8(15)14-12-5-9-2-10(6-12)4-11(13,3-9)7-12/h9-10H,2-7H2,1H3,(H,14,15)/t9-,10+,11?,12?
InChIKeyFGICIOIKPNUROT-ZYANWLCNSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(5S,7R)-3-fluoro-1-adamantyl]acetamide?
The IUPAC name of N-[(5S,7R)-3-fluoro-1-adamantyl]acetamide (CID 102366665) is N-[(5S,7R)-3-fluoro-1-adamantyl]acetamide.
What is the SMILES notation for N-[(5S,7R)-3-fluoro-1-adamantyl]acetamide?
The canonical SMILES for N-[(5S,7R)-3-fluoro-1-adamantyl]acetamide is CC(=O)NC12C[C@@H]3C[C@@H](CC(F)(C3)C1)C2.
What is the InChIKey of N-[(5S,7R)-3-fluoro-1-adamantyl]acetamide?
The InChIKey is FGICIOIKPNUROT-ZYANWLCNSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8(15)14-12-5-9-2-10(6-12)4-11(13,3-9)7-12/h9-10H,2-7H2,1H3,(H,14,15)/t9-,10+,11?,12?.
What are the key properties of N-[(5S,7R)-3-fluoro-1-adamantyl]acetamide?
N-[(5S,7R)-3-fluoro-1-adamantyl]acetamide has a molecular weight of 211.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,7R)-3-fluoro-1-adamantyl]acetamide is sourced from PubChem (CID 102366665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).