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

C20H26FNO — CID 18076207

IUPACN-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCC(NC(=O)Cc1cccc(F)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26FNO/c1-13(22-19(23)9-14-3-2-4-18(21)8-14)20-10-15-5-16(11-20)7-17(6-15)12-20/h2-4,8,13,15-17H,5-7,9-12H2,1H3,(H,22,23)
InChIKeyMJISSDQBPJRHCC-UHFFFAOYSA-N
MW315.43 g/mol
LogP4.09
Rot. Bonds4

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

N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide (PubChem CID 18076207) has the molecular formula C20H26FNO and a molecular weight of 315.43 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide
PubChem CID18076207
Molecular FormulaC20H26FNO
Molecular Weight315.43 g/mol
Exact Mass315.20
IUPAC NameN-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide
SMILESCC(NC(=O)Cc1cccc(F)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H26FNO/c1-13(22-19(23)9-14-3-2-4-18(21)8-14)20-10-15-5-16(11-20)7-17(6-15)12-20/h2-4,8,13,15-17H,5-7,9-12H2,1H3,(H,22,23)
InChIKeyMJISSDQBPJRHCC-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(1-adamantyl)ethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 7929622
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,6-dichlorophenyl)acetamide
CID 7929651
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(Z)-(3-fluorophenyl)methylideneamino]oxyacetamide
CID 7704639
N-[(1S)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323929
N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-chlorophenyl)acetamide
CID 7323930
(Z)-N-[1-(1-adamantyl)ethyl]-2-cyano-3-[(3-fluorophenyl)methylamino]prop-2-enamide
CID 108842765
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 7759013
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 7929244
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590367
N-[(1S)-1-(1-adamantyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 7929243
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
N-[(1S)-1-(1-adamantyl)ethyl]-2-(2,4-dichlorophenyl)acetamide
CID 7929641

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide (CID 18076207) is N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide is CC(NC(=O)Cc1cccc(F)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is MJISSDQBPJRHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO/c1-13(22-19(23)9-14-3-2-4-18(21)8-14)20-10-15-5-16(11-20)7-17(6-15)12-20/h2-4,8,13,15-17H,5-7,9-12H2,1H3,(H,22,23).
What are the key properties of N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide?
N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 315.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)ethyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 18076207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).