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

C21H25F3N2O2 — CID 108933649

IUPACN-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C21H25F3N2O2/c22-21(23,24)19(28)25-12-13-1-3-17(4-2-13)26-18(27)11-20-8-14-5-15(9-20)7-16(6-14)10-20/h1-4,14-16H,5-12H2,(H,25,28)(H,26,27)
InChIKeyLCYURQMWSAPBCH-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.41
Rot. Bonds5

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

N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 108933649) has the molecular formula C21H25F3N2O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide
PubChem CID108933649
Molecular FormulaC21H25F3N2O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC NameN-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(CNC(=O)C(F)(F)F)cc1
InChIInChI=1S/C21H25F3N2O2/c22-21(23,24)19(28)25-12-13-1-3-17(4-2-13)26-18(27)11-20-8-14-5-15(9-20)7-16(6-14)10-20/h1-4,14-16H,5-12H2,(H,25,28)(H,26,27)
InChIKeyLCYURQMWSAPBCH-UHFFFAOYSA-N
XLogP4.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-adamantyl)-N-(4-aminophenyl)acetamide
CID 79987888
N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 108933427
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
3-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 108933613
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
2-(1-adamantyl)-N-[4-[2-(dimethylcarbamoylamino)ethyl]phenyl]acetamide
CID 166321688
N-[[4-(2-adamantyl)phenyl]methyl]-2,2,2-trifluoroacetamide
CID 142441722
1-[2-[2-[2-(1-adamantyl)acetyl]hydrazinyl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 24664912
2-[4-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]phenyl]-N-methylacetamide
CID 38404079
2-(1-adamantyl)-N-[4-(2-pyridin-2-ylethyl)phenyl]acetamide
CID 46786313
2-methyl-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933949
N-[2-oxo-2-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]benzamide
CID 108933635

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide (CID 108933649) is N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(CNC(=O)C(F)(F)F)cc1.
What is the InChIKey of N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is LCYURQMWSAPBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N2O2/c22-21(23,24)19(28)25-12-13-1-3-17(4-2-13)26-18(27)11-20-8-14-5-15(9-20)7-16(6-14)10-20/h1-4,14-16H,5-12H2,(H,25,28)(H,26,27).
What are the key properties of N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide?
N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 394.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108933649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).