N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide

C20H26FNO2 — CID 90622955

IUPACN-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide
SMILESCOC(CNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(F)c1
InChIInChI=1S/C20H26FNO2/c1-24-18(16-3-2-4-17(21)8-16)12-22-19(23)20-9-13-5-14(10-20)7-15(6-13)11-20/h2-4,8,13-15,18H,5-7,9-12H2,1H3,(H,22,23)
InChIKeySOYFGFSVWNZNHH-UHFFFAOYSA-N
MW331.43 g/mol
LogP3.85
Rot. Bonds5

About N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide

N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide (PubChem CID 90622955) has the molecular formula C20H26FNO2 and a molecular weight of 331.43 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide
PubChem CID90622955
Molecular FormulaC20H26FNO2
Molecular Weight331.43 g/mol
Exact Mass331.19
IUPAC NameN-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide
SMILESCOC(CNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(F)c1
InChIInChI=1S/C20H26FNO2/c1-24-18(16-3-2-4-17(21)8-16)12-22-19(23)20-9-13-5-14(10-20)7-15(6-13)11-20/h2-4,8,13-15,18H,5-7,9-12H2,1H3,(H,22,23)
InChIKeySOYFGFSVWNZNHH-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide 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

N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90623022
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872
1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 90623238
N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide
CID 90623137
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
CID 90623219
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea
CID 90623223
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylpropanamide
CID 90622906
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide
CID 90622908
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
CID 90622974
2-(4-ethoxyphenoxy)-N-[2-(3-fluorophenyl)-2-methoxyethyl]acetamide
CID 90622981
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]adamantane-1-carboxamide
CID 42959545
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 73168484

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide (CID 90622955) is N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide is COC(CNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide?
The InChIKey is SOYFGFSVWNZNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO2/c1-24-18(16-3-2-4-17(21)8-16)12-22-19(23)20-9-13-5-14(10-20)7-15(6-13)11-20/h2-4,8,13-15,18H,5-7,9-12H2,1H3,(H,22,23).
What are the key properties of N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide?
N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide has a molecular weight of 331.43 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methoxyethyl]adamantane-1-carboxamide is sourced from PubChem (CID 90622955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).