N-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide

C18H24FNO — CID 71090797

IUPACN-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide
SMILESO=C(NCC1CCCC2CCC(C2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H24FNO/c19-17-8-6-16(7-9-17)18(21)20-12-15-3-1-2-13-4-5-14(10-13)11-15/h6-9,13-15H,1-5,10-12H2,(H,20,21)
InChIKeyQYNDBSITTQLYBD-UHFFFAOYSA-N
MW289.39 g/mol
LogP4.16
Rot. Bonds3

About N-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide

N-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide (PubChem CID 71090797) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is N-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide
PubChem CID71090797
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC NameN-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide
SMILESO=C(NCC1CCCC2CCC(C2)C1)c1ccc(F)cc1
InChIInChI=1S/C18H24FNO/c19-17-8-6-16(7-9-17)18(21)20-12-15-3-1-2-13-4-5-14(10-13)11-15/h6-9,13-15H,1-5,10-12H2,(H,20,21)
InChIKeyQYNDBSITTQLYBD-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorocyclohexyl)methyl]-4-fluorobenzamide
CID 106132319
N-[(3-chlorocyclopentyl)methyl]-4-fluorobenzamide
CID 106127378
4-fluoro-N-[(3-hydroxycyclobutyl)methyl]benzamide
CID 66006045
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[(3-chlorocyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 106132053
N-(cyclobutylmethyl)-2-(4-fluorophenyl)acetamide
CID 94168873
1-(4-fluorophenyl)-3-[[3-[[(4-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835566
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
N-[(3-chlorocyclohexyl)methyl]-3-fluoro-5-methylbenzamide
CID 106132483
N-[(3-bromocyclohexyl)methyl]-3,4-difluorobenzamide
CID 106133221
4-fluoro-N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]benzamide
CID 42285901

Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide?
The IUPAC name of N-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide (CID 71090797) is N-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide.
What is the SMILES notation for N-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide?
The canonical SMILES for N-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide is O=C(NCC1CCCC2CCC(C2)C1)c1ccc(F)cc1.
What is the InChIKey of N-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide?
The InChIKey is QYNDBSITTQLYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c19-17-8-6-16(7-9-17)18(21)20-12-15-3-1-2-13-4-5-14(10-13)11-15/h6-9,13-15H,1-5,10-12H2,(H,20,21).
What are the key properties of N-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide?
N-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide has a molecular weight of 289.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[5.2.1]decanylmethyl)-4-fluorobenzamide is sourced from PubChem (CID 71090797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).