N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide

C20H24F3NO2 — CID 38545209

IUPACN-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24F3NO2/c1-24(12-13-2-4-17(5-3-13)26-20(21,22)23)18(25)19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-12H2,1H3
InChIKeyULEIXHASQSRUKR-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.76
Rot. Bonds4

About N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide

N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide (PubChem CID 38545209) has the molecular formula C20H24F3NO2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide
PubChem CID38545209
Molecular FormulaC20H24F3NO2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC NameN-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H24F3NO2/c1-24(12-13-2-4-17(5-3-13)26-20(21,22)23)18(25)19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-12H2,1H3
InChIKeyULEIXHASQSRUKR-UHFFFAOYSA-N
XLogP4.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide (CID 38545209) is N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide is CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide?
The InChIKey is ULEIXHASQSRUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO2/c1-24(12-13-2-4-17(5-3-13)26-20(21,22)23)18(25)19-9-14-6-15(10-19)8-16(7-14)11-19/h2-5,14-16H,6-12H2,1H3.
What are the key properties of N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide?
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 38545209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).