2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide

C15H24FNO2 — CID 21063620

IUPAC2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide
SMILESCCC(C)(F)C(=O)NC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C15H24FNO2/c1-3-13(2,16)12(18)17-14-5-10-4-11(6-14)8-15(19,7-10)9-14/h10-11,19H,3-9H2,1-2H3,(H,17,18)
InChIKeyASJXVXBDFLIRCZ-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.32
Rot. Bonds3

About 2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide

2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide (PubChem CID 21063620) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide
PubChem CID21063620
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide
SMILESCCC(C)(F)C(=O)NC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C15H24FNO2/c1-3-13(2,16)12(18)17-14-5-10-4-11(6-14)8-15(19,7-10)9-14/h10-11,19H,3-9H2,1-2H3,(H,17,18)
InChIKeyASJXVXBDFLIRCZ-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide
CID 98051722
N-(3-hydroxy-1-adamantyl)acetamide
CID 2842792
tert-butyl N-(3-hydroxy-1-adamantyl)carbamate
CID 59134555
N-(3,5-dicyano-1-adamantyl)-2-fluoro-2-methylbutanamide
CID 21063654
3-(2-fluoro-2-methylbutyl)adamantan-1-ol
CID 58761451
N-(3-cyano-5-hydroxy-1-adamantyl)-2-methyl-2-(trifluoromethyl)butanamide
CID 21063661
N-(1-adamantyl)-2-amino-2-ethylbutanamide
CID 79810373
2-(3-hydroxy-1-adamantyl)propan-2-yl 2-methyl-2-(trifluoromethyl)butanoate
CID 21063578
(3-hydroxy-1-adamantyl)methyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59229019
3-[(3-hydroxy-1-adamantyl)amino]butan-2-one
CID 118500804
N-(3-acetamido-1-adamantyl)acetamide
CID 2817797
(3-hydroxy-1-adamantyl) 2-methyl-2-(methylamino)butanoate
CID 130207603

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide?
The IUPAC name of 2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide (CID 21063620) is 2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide.
What is the SMILES notation for 2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide?
The canonical SMILES for 2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide is CCC(C)(F)C(=O)NC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide?
The InChIKey is ASJXVXBDFLIRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-3-13(2,16)12(18)17-14-5-10-4-11(6-14)8-15(19,7-10)9-14/h10-11,19H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide?
2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide has a molecular weight of 269.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-hydroxy-1-adamantyl)-2-methylbutanamide is sourced from PubChem (CID 21063620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).