N-[4-(1-adamantyl)phenyl]-2,2,2-trifluoroacetamide

C18H20F3NO — CID 2835995

IUPACN-[4-(1-adamantyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(F)(F)F
InChIInChI=1S/C18H20F3NO/c19-18(20,21)16(23)22-15-3-1-14(2-4-15)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,22,23)
InChIKeyOGXLGJQKEZYEQG-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.66
Rot. Bonds2

About N-[4-(1-adamantyl)phenyl]-2,2,2-trifluoroacetamide

N-[4-(1-adamantyl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 2835995) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID2835995
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC NameN-[4-(1-adamantyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(F)(F)F
InChIInChI=1S/C18H20F3NO/c19-18(20,21)16(23)22-15-3-1-14(2-4-15)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,22,23)
InChIKeyOGXLGJQKEZYEQG-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-2,2,2-trifluoroacetamide (CID 2835995) is N-[4-(1-adamantyl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is OGXLGJQKEZYEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO/c19-18(20,21)16(23)22-15-3-1-14(2-4-15)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,22,23).
What are the key properties of N-[4-(1-adamantyl)phenyl]-2,2,2-trifluoroacetamide?
N-[4-(1-adamantyl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 323.36 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 2835995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).