N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide

C17H22FNO2 — CID 123167407

IUPACN-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide
SMILESO=C(NCCOC1CCC=CCCC1)c1ccc([18F])cc1
InChIInChI=1S/C17H22FNO2/c18-15-10-8-14(9-11-15)17(20)19-12-13-21-16-6-4-2-1-3-5-7-16/h1-2,8-11,16H,3-7,12-13H2,(H,19,20)/i18-1
InChIKeyMNMVGVFXMJQFLL-SQZVAGKESA-N
MW290.37 g/mol
LogP3.46
Rot. Bonds5

About N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide

N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide (PubChem CID 123167407) has the molecular formula C17H22FNO2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide.

Molecular Properties

Compound NameN-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide
PubChem CID123167407
Molecular FormulaC17H22FNO2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide
SMILESO=C(NCCOC1CCC=CCCC1)c1ccc([18F])cc1
InChIInChI=1S/C17H22FNO2/c18-15-10-8-14(9-11-15)17(20)19-12-13-21-16-6-4-2-1-3-5-7-16/h1-2,8-11,16H,3-7,12-13H2,(H,19,20)/i18-1
InChIKeyMNMVGVFXMJQFLL-SQZVAGKESA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 55251922
N-(3-cyclohexyloxypropyl)-4-fluorobenzamide
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CID 61149535
N-(2-cyclohexyloxyethyl)-4-sulfanylbenzamide
CID 107030134
N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide
CID 107030113
4-methylsulfanyl-N-(2-piperidin-4-yloxyethyl)benzamide
CID 79217625
4-amino-N-(2-cyclohexyloxyethyl)-3,5-difluorobenzamide
CID 63834672
N-(2-cyclohexyloxyethyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 75462004
N-(2-cyclopentyloxyethyl)-3,5-dihydroxybenzamide
CID 104938884
N-(2-aminooxyethyl)-4-fluorobenzamide
CID 39239976
4-ethyl-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63869936
N-(2-cyclohexyloxyethyl)-4-(prop-2-enoylamino)benzamide
CID 166409112

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide?
The IUPAC name of N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide (CID 123167407) is N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide.
What is the SMILES notation for N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide?
The canonical SMILES for N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide is O=C(NCCOC1CCC=CCCC1)c1ccc([18F])cc1.
What is the InChIKey of N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide?
The InChIKey is MNMVGVFXMJQFLL-SQZVAGKESA-N. The full InChI is InChI=1S/C17H22FNO2/c18-15-10-8-14(9-11-15)17(20)19-12-13-21-16-6-4-2-1-3-5-7-16/h1-2,8-11,16H,3-7,12-13H2,(H,19,20)/i18-1.
What are the key properties of N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide?
N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide has a molecular weight of 290.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide is sourced from PubChem (CID 123167407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).