N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide

C20H23F3N2O2 — CID 108934228

IUPACN-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccccc1CNC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)18(27)25-16-4-2-1-3-15(16)11-24-17(26)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,24,26)(H,25,27)
InChIKeyFFCMZNZNTYIROO-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.02
Rot. Bonds4

About N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide

N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide (PubChem CID 108934228) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide
PubChem CID108934228
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC NameN-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide
SMILESO=C(Nc1ccccc1CNC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)18(27)25-16-4-2-1-3-15(16)11-24-17(26)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,24,26)(H,25,27)
InChIKeyFFCMZNZNTYIROO-UHFFFAOYSA-N
XLogP4.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 108933427
N-[2-[[[2-(4-bromophenyl)acetyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 108934266
N-[3-(2-ethylanilino)-3-oxopropyl]adamantane-1-carboxamide
CID 8570754
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]thiophene-2-carboxamide
CID 108934166
3-methyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]but-2-enamide
CID 108934336
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]adamantane-1-carboxamide
CID 24612713
(E)-3-cyclopentyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]but-2-enamide
CID 108934358
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)adamantane-1-carboxamide
CID 71790687
3-hydroxy-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934226
3-fluoro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108934210
(E)-3,4-dimethyl-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]pent-2-enamide
CID 108934362
3,4-dichloro-N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933986

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide?
The IUPAC name of N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide (CID 108934228) is N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide is O=C(Nc1ccccc1CNC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.
What is the InChIKey of N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide?
The InChIKey is FFCMZNZNTYIROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c21-20(22,23)18(27)25-16-4-2-1-3-15(16)11-24-17(26)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,24,26)(H,25,27).
What are the key properties of N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide?
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide is sourced from PubChem (CID 108934228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).