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

C20H23F3N2O2 — CID 108933427

IUPACN-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)18(27)25-16-4-2-1-3-15(16)24-17(26)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,24,26)(H,25,27)
InChIKeyHYQJFEJMLAPNDR-UHFFFAOYSA-N
MW380.41 g/mol
LogP4.73
Rot. Bonds4

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

N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 108933427) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
PubChem CID108933427
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC NameN-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1NC(=O)C(F)(F)F
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)18(27)25-16-4-2-1-3-15(16)24-17(26)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,24,26)(H,25,27)
InChIKeyHYQJFEJMLAPNDR-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-(2-chlorophenyl)acetamide
CID 4563797
2-(1-adamantyl)-N-(2-propan-2-ylphenyl)acetamide
CID 3951233
N-[[4-[[2-(1-adamantyl)acetyl]amino]phenyl]methyl]-2,2,2-trifluoroacetamide
CID 108933649
2-(1-adamantyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 2958595
N-[[2-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]adamantane-1-carboxamide
CID 108934228
2-(1-adamantyl)-N-(2,6-difluorophenyl)acetamide
CID 2741131
2-(1-adamantyl)-N-(2,6-dihydroxyphenyl)acetamide
CID 139249629
2-(1-adamantyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 3649534
2-(1-adamantyl)-N-pyridin-4-ylacetamide
CID 2971527
2-(1-adamantyl)-N-(4-aminophenyl)acetamide
CID 79987888
2-(1-adamantyl)-N-(2-hydroxy-5-methylphenyl)acetamide
CID 3340169
tert-butyl N-[2-[[2-[[2-(1-adamantyl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917944

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide (CID 108933427) is N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1NC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is HYQJFEJMLAPNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c21-20(22,23)18(27)25-16-4-2-1-3-15(16)24-17(26)11-19-8-12-5-13(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-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide?
N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 380.41 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108933427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).