3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide

C23H26FNO3 — CID 146325722

IUPAC3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide
SMILESCC1(c2ccc(Oc3ccc(C(=O)NO)cc3F)cc2)C2CCCC1CCC2
InChIInChI=1S/C23H26FNO3/c1-23(16-4-2-5-17(23)7-3-6-16)18-9-11-19(12-10-18)28-21-13-8-15(14-20(21)24)22(26)25-27/h8-14,16-17,27H,2-7H2,1H3,(H,25,26)
InChIKeyQBNQAWYNKYCGNQ-UHFFFAOYSA-N
MW383.46 g/mol
LogP5.59
Rot. Bonds4

About 3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide

3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide (PubChem CID 146325722) has the molecular formula C23H26FNO3 and a molecular weight of 383.46 g/mol. Its IUPAC name is 3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide.

Molecular Properties

Compound Name3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide
PubChem CID146325722
Molecular FormulaC23H26FNO3
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide
SMILESCC1(c2ccc(Oc3ccc(C(=O)NO)cc3F)cc2)C2CCCC1CCC2
InChIInChI=1S/C23H26FNO3/c1-23(16-4-2-5-17(23)7-3-6-16)18-9-11-19(12-10-18)28-21-13-8-15(14-20(21)24)22(26)25-27/h8-14,16-17,27H,2-7H2,1H3,(H,25,26)
InChIKeyQBNQAWYNKYCGNQ-UHFFFAOYSA-N
XLogP5.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.46
LogP ≤ 55.59
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

4-(4-cyclohexylphenoxy)-3-fluoro-N-hydroxybenzamide
CID 146305948
methyl 4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzoate
CID 146325637
4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide
CID 146325605
methyl 4-(4-cyclopropylphenoxy)-3-fluorobenzoate
CID 142415157
[2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-bromophenoxy)-3-fluorophenyl]methanone
CID 119631643
4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389286
1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one
CID 161389908
N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-4-(4-bromophenoxy)-3-fluorobenzamide
CID 97314015
methyl 4-(4-acetyl-2-fluorophenoxy)benzoate
CID 60674012
4-(4-cycloheptylphenoxy)-3-fluoro-N,N-dimethylbenzamide
CID 142415067
[4-(2,4-difluorophenoxy)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649389
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(4-chlorophenoxy)-3-fluorobenzamide;hydrochloride
CID 119458494

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide?
The IUPAC name of 3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide (CID 146325722) is 3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide.
What is the SMILES notation for 3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide?
The canonical SMILES for 3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide is CC1(c2ccc(Oc3ccc(C(=O)NO)cc3F)cc2)C2CCCC1CCC2.
What is the InChIKey of 3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide?
The InChIKey is QBNQAWYNKYCGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FNO3/c1-23(16-4-2-5-17(23)7-3-6-16)18-9-11-19(12-10-18)28-21-13-8-15(14-20(21)24)22(26)25-27/h8-14,16-17,27H,2-7H2,1H3,(H,25,26).
What are the key properties of 3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide?
3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide has a molecular weight of 383.46 g/mol, XLogP of 5.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide is sourced from PubChem (CID 146325722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).