N-[4-(difluoromethyl)-1-adamantyl]acetamide

C13H19F2NO — CID 58192786

IUPACN-[4-(difluoromethyl)-1-adamantyl]acetamide
SMILESCC(=O)NC12CC3CC(C1)C(C(F)F)C(C3)C2
InChIInChI=1S/C13H19F2NO/c1-7(17)16-13-4-8-2-9(5-13)11(12(14)15)10(3-8)6-13/h8-12H,2-6H2,1H3,(H,16,17)
InChIKeyDEQWYZMCTPLREQ-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.58
Rot. Bonds2

About N-[4-(difluoromethyl)-1-adamantyl]acetamide

N-[4-(difluoromethyl)-1-adamantyl]acetamide (PubChem CID 58192786) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is N-[4-(difluoromethyl)-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethyl)-1-adamantyl]acetamide
PubChem CID58192786
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC NameN-[4-(difluoromethyl)-1-adamantyl]acetamide
SMILESCC(=O)NC12CC3CC(C1)C(C(F)F)C(C3)C2
InChIInChI=1S/C13H19F2NO/c1-7(17)16-13-4-8-2-9(5-13)11(12(14)15)10(3-8)6-13/h8-12H,2-6H2,1H3,(H,16,17)
InChIKeyDEQWYZMCTPLREQ-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethyl)-1-adamantyl]acetamide?
The IUPAC name of N-[4-(difluoromethyl)-1-adamantyl]acetamide (CID 58192786) is N-[4-(difluoromethyl)-1-adamantyl]acetamide.
What is the SMILES notation for N-[4-(difluoromethyl)-1-adamantyl]acetamide?
The canonical SMILES for N-[4-(difluoromethyl)-1-adamantyl]acetamide is CC(=O)NC12CC3CC(C1)C(C(F)F)C(C3)C2.
What is the InChIKey of N-[4-(difluoromethyl)-1-adamantyl]acetamide?
The InChIKey is DEQWYZMCTPLREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-7(17)16-13-4-8-2-9(5-13)11(12(14)15)10(3-8)6-13/h8-12H,2-6H2,1H3,(H,16,17).
What are the key properties of N-[4-(difluoromethyl)-1-adamantyl]acetamide?
N-[4-(difluoromethyl)-1-adamantyl]acetamide has a molecular weight of 243.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethyl)-1-adamantyl]acetamide is sourced from PubChem (CID 58192786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).