2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide

C18H21F2NO — CID 2741131

IUPAC2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1c(F)cccc1F
InChIInChI=1S/C18H21F2NO/c19-14-2-1-3-15(20)17(14)21-16(22)10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10H2,(H,21,22)
InChIKeyBLMUFIFQVQXQOY-UHFFFAOYSA-N
MW305.37 g/mol
LogP4.51
Rot. Bonds3

About 2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide

2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide (PubChem CID 2741131) has the molecular formula C18H21F2NO and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide
PubChem CID2741131
Molecular FormulaC18H21F2NO
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1c(F)cccc1F
InChIInChI=1S/C18H21F2NO/c19-14-2-1-3-15(20)17(14)21-16(22)10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10H2,(H,21,22)
InChIKeyBLMUFIFQVQXQOY-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
CID 139249629
N'-[2-(1-adamantyl)acetyl]-2-chloro-6-fluorobenzohydrazide
CID 7917872
2-(1-adamantyl)-N-(3-methylsulfanylphenyl)acetamide
CID 7734007
N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 108933427
2-(1-adamantyl)-N'-[2-(2-fluorophenoxy)acetyl]acetohydrazide
CID 18285136
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797
2-(1-adamantyl)-N-(3-ethylphenyl)acetamide
CID 7935228
2-(1-adamantyl)-N-[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl]acetamide
CID 9401804
2-(1-adamantyl)-N-(3-methylsulfonylphenyl)acetamide
CID 17486752
2-(1-adamantyl)-N-(3,5-dichlorophenyl)acetamide
CID 3436472
2-(1-adamantyl)-N-[4-(4-chlorophenoxy)phenyl]acetamide
CID 3621040

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide (CID 2741131) is 2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1c(F)cccc1F.
What is the InChIKey of 2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide?
The InChIKey is BLMUFIFQVQXQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO/c19-14-2-1-3-15(20)17(14)21-16(22)10-18-7-11-4-12(8-18)6-13(5-11)9-18/h1-3,11-13H,4-10H2,(H,21,22).
What are the key properties of 2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide?
2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide has a molecular weight of 305.37 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide is sourced from PubChem (CID 2741131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).