N-[2-(trifluoromethyl)phenyl]adamantane-1-carboxamide

C18H20F3NO — CID 584808

IUPACN-[2-(trifluoromethyl)phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H20F3NO/c19-18(20,21)14-3-1-2-4-15(14)22-16(23)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,22,23)
InChIKeyDSSLCEYJQQSHEG-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.86
Rot. Bonds2

About N-[2-(trifluoromethyl)phenyl]adamantane-1-carboxamide

N-[2-(trifluoromethyl)phenyl]adamantane-1-carboxamide (PubChem CID 584808) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)phenyl]adamantane-1-carboxamide
PubChem CID584808
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC NameN-[2-(trifluoromethyl)phenyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H20F3NO/c19-18(20,21)14-3-1-2-4-15(14)22-16(23)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,22,23)
InChIKeyDSSLCEYJQQSHEG-UHFFFAOYSA-N
XLogP4.86
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 ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(trifluoromethyl)phenyl]adamantane-1-carboxamide (CID 584808) is N-[2-(trifluoromethyl)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(trifluoromethyl)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(trifluoromethyl)phenyl]adamantane-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(trifluoromethyl)phenyl]adamantane-1-carboxamide?
The InChIKey is DSSLCEYJQQSHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO/c19-18(20,21)14-3-1-2-4-15(14)22-16(23)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-[2-(trifluoromethyl)phenyl]adamantane-1-carboxamide?
N-[2-(trifluoromethyl)phenyl]adamantane-1-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 584808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).