2-adamantyl-(4-amino-3-fluorophenyl)methanone

C17H20FNO — CID 81099471

IUPAC2-adamantyl-(4-amino-3-fluorophenyl)methanone
SMILESNc1ccc(C(=O)C2C3CC4CC(C3)CC2C4)cc1F
InChIInChI=1S/C17H20FNO/c18-14-8-11(1-2-15(14)19)17(20)16-12-4-9-3-10(6-12)7-13(16)5-9/h1-2,8-10,12-13,16H,3-7,19H2
InChIKeyXCZUBKQSWSOLSR-UHFFFAOYSA-N
MW273.35 g/mol
LogP3.66
Rot. Bonds2

About 2-adamantyl-(4-amino-3-fluorophenyl)methanone

2-adamantyl-(4-amino-3-fluorophenyl)methanone (PubChem CID 81099471) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-adamantyl-(4-amino-3-fluorophenyl)methanone.

Molecular Properties

Compound Name2-adamantyl-(4-amino-3-fluorophenyl)methanone
PubChem CID81099471
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-adamantyl-(4-amino-3-fluorophenyl)methanone
SMILESNc1ccc(C(=O)C2C3CC4CC(C3)CC2C4)cc1F
InChIInChI=1S/C17H20FNO/c18-14-8-11(1-2-15(14)19)17(20)16-12-4-9-3-10(6-12)7-13(16)5-9/h1-2,8-10,12-13,16H,3-7,19H2
InChIKeyXCZUBKQSWSOLSR-UHFFFAOYSA-N
XLogP3.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-adamantyl-(4-amino-3-fluorophenyl)methanone 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-adamantyl-(3,4-difluorophenyl)methanone
CID 81100525
(4-amino-3-fluorophenyl)-(1-methylcyclohexyl)methanone
CID 106829172
2-adamantyl(1H-pyrrol-3-yl)methanone
CID 81096549
4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
N-(2-amino-4-hydroxyphenyl)adamantane-2-carboxamide
CID 107697676
(4-amino-3-fluorophenyl)-(1-ethylcyclopropyl)methanone
CID 130553884
1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 62680969
(4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116547254
(4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895188
4-amino-3-fluoro-N-prop-2-ynylbenzamide
CID 62678151
N-(2-aminophenyl)adamantane-2-carboxamide;hydrochloride
CID 119422484
1-(4-amino-3-fluorophenyl)but-3-en-1-one
CID 116547167

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-(4-amino-3-fluorophenyl)methanone?
The IUPAC name of 2-adamantyl-(4-amino-3-fluorophenyl)methanone (CID 81099471) is 2-adamantyl-(4-amino-3-fluorophenyl)methanone.
What is the SMILES notation for 2-adamantyl-(4-amino-3-fluorophenyl)methanone?
The canonical SMILES for 2-adamantyl-(4-amino-3-fluorophenyl)methanone is Nc1ccc(C(=O)C2C3CC4CC(C3)CC2C4)cc1F.
What is the InChIKey of 2-adamantyl-(4-amino-3-fluorophenyl)methanone?
The InChIKey is XCZUBKQSWSOLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c18-14-8-11(1-2-15(14)19)17(20)16-12-4-9-3-10(6-12)7-13(16)5-9/h1-2,8-10,12-13,16H,3-7,19H2.
What are the key properties of 2-adamantyl-(4-amino-3-fluorophenyl)methanone?
2-adamantyl-(4-amino-3-fluorophenyl)methanone has a molecular weight of 273.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-(4-amino-3-fluorophenyl)methanone is sourced from PubChem (CID 81099471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).