2-(3-bromo-1-adamantyl)-N-[2-(difluoromethoxy)phenyl]acetamide

C19H22BrF2NO2 — CID 4005768

IUPAC2-(3-bromo-1-adamantyl)-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CC12CC3CC(CC(Br)(C3)C1)C2)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H22BrF2NO2/c20-19-8-12-5-13(9-19)7-18(6-12,11-19)10-16(24)23-14-3-1-2-4-15(14)25-17(21)22/h1-4,12-13,17H,5-11H2,(H,23,24)
InChIKeyQKMMGRCAQUJITQ-UHFFFAOYSA-N
MW414.29 g/mol
LogP5.35
Rot. Bonds5

About 2-(3-bromo-1-adamantyl)-N-[2-(difluoromethoxy)phenyl]acetamide

2-(3-bromo-1-adamantyl)-N-[2-(difluoromethoxy)phenyl]acetamide (PubChem CID 4005768) has the molecular formula C19H22BrF2NO2 and a molecular weight of 414.29 g/mol. Its IUPAC name is 2-(3-bromo-1-adamantyl)-N-[2-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-1-adamantyl)-N-[2-(difluoromethoxy)phenyl]acetamide
PubChem CID4005768
Molecular FormulaC19H22BrF2NO2
Molecular Weight414.29 g/mol
Exact Mass413.08
IUPAC Name2-(3-bromo-1-adamantyl)-N-[2-(difluoromethoxy)phenyl]acetamide
SMILESO=C(CC12CC3CC(CC(Br)(C3)C1)C2)Nc1ccccc1OC(F)F
InChIInChI=1S/C19H22BrF2NO2/c20-19-8-12-5-13(9-19)7-18(6-12,11-19)10-16(24)23-14-3-1-2-4-15(14)25-17(21)22/h1-4,12-13,17H,5-11H2,(H,23,24)
InChIKeyQKMMGRCAQUJITQ-UHFFFAOYSA-N
XLogP5.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.29
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(3-bromo-1-adamantyl)-N-[2-(difluoromethoxy)phenyl]acetamide 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-[(5S,7S)-3-bromo-1-adamantyl]-N-(2-methoxyphenyl)acetamide
CID 98144134
2-(3-bromo-1-adamantyl)-N-(2-propoxyphenyl)acetamide
CID 42997776
2-[(5R,7R)-3-bromo-1-adamantyl]-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]acetamide
CID 98685276
4-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]benzamide
CID 2370309
N-[2-(difluoromethoxy)phenyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331721
2-(1-aminocyclohexyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 64684367
2-[(5R,7R)-3-bromo-1-adamantyl]-N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 98341333
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 18532249
2-cyclohexyl-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112793238
N-[2-[[2-(1-adamantyl)acetyl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 108933427
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510947
4-[[2-[(5S,7R)-3-bromo-1-adamantyl]acetyl]amino]-N,N-dimethylbenzamide
CID 8698806

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-1-adamantyl)-N-[2-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(3-bromo-1-adamantyl)-N-[2-(difluoromethoxy)phenyl]acetamide (CID 4005768) is 2-(3-bromo-1-adamantyl)-N-[2-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-bromo-1-adamantyl)-N-[2-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-bromo-1-adamantyl)-N-[2-(difluoromethoxy)phenyl]acetamide is O=C(CC12CC3CC(CC(Br)(C3)C1)C2)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-(3-bromo-1-adamantyl)-N-[2-(difluoromethoxy)phenyl]acetamide?
The InChIKey is QKMMGRCAQUJITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrF2NO2/c20-19-8-12-5-13(9-19)7-18(6-12,11-19)10-16(24)23-14-3-1-2-4-15(14)25-17(21)22/h1-4,12-13,17H,5-11H2,(H,23,24).
What are the key properties of 2-(3-bromo-1-adamantyl)-N-[2-(difluoromethoxy)phenyl]acetamide?
2-(3-bromo-1-adamantyl)-N-[2-(difluoromethoxy)phenyl]acetamide has a molecular weight of 414.29 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-1-adamantyl)-N-[2-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 4005768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).