4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide

C21H23NO3 — CID 146325651

IUPAC4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Oc2ccc(C3CC4CCC3CC4)cc2)cc1
InChIInChI=1S/C21H23NO3/c23-21(22-24)17-7-11-19(12-8-17)25-18-9-5-16(6-10-18)20-13-14-1-3-15(20)4-2-14/h5-12,14-15,20,24H,1-4,13H2,(H,22,23)
InChIKeyFUYVKNRPPHCERQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.89
Rot. Bonds4

About 4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide

4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide (PubChem CID 146325651) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide
PubChem CID146325651
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(Oc2ccc(C3CC4CCC3CC4)cc2)cc1
InChIInChI=1S/C21H23NO3/c23-21(22-24)17-7-11-19(12-8-17)25-18-9-5-16(6-10-18)20-13-14-1-3-15(20)4-2-14/h5-12,14-15,20,24H,1-4,13H2,(H,22,23)
InChIKeyFUYVKNRPPHCERQ-UHFFFAOYSA-N
XLogP4.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]benzoate
CID 146325411
6-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]-5-fluoro-N-methylpyridine-3-carboxamide
CID 146325617
(1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
CID 101158229
4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide
CID 146305948
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methoxybenzamide
CID 98233696
N-(2-adamantyl)-4-[4-[4-(2-adamantylcarbamoyl)phenoxy]-2,3,5,6-tetrafluorophenoxy]benzamide
CID 4244949
6-[4-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]-5-fluoro-N,N-dimethylpyridine-3-carboxamide
CID 150923849
4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide
CID 25115052
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-cyclopentyloxybenzamide
CID 98331739
cis-(1R,3S)-3-[(4-pyridin-3-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677236
1-[4-(4-cyclopentylphenoxy)phenyl]propan-1-one
CID 157293916

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide?
The IUPAC name of 4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide (CID 146325651) is 4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide.
What is the SMILES notation for 4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide?
The canonical SMILES for 4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide is O=C(NO)c1ccc(Oc2ccc(C3CC4CCC3CC4)cc2)cc1.
What is the InChIKey of 4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide?
The InChIKey is FUYVKNRPPHCERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-21(22-24)17-7-11-19(12-8-17)25-18-9-5-16(6-10-18)20-13-14-1-3-15(20)4-2-14/h5-12,14-15,20,24H,1-4,13H2,(H,22,23).
What are the key properties of 4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide?
4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide has a molecular weight of 337.42 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-bicyclo[2.2.2]octanyl)phenoxy]-N-hydroxybenzamide is sourced from PubChem (CID 146325651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).