4-(2-azaspiro[5.5]undecan-2-ylmethyl)-3-fluoro-N-hydroxybenzamide

C18H25FN2O2 — CID 155598336

IUPAC4-(2-azaspiro[5.5]undecan-2-ylmethyl)-3-fluoro-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2CCCC3(CCCCC3)C2)c(F)c1
InChIInChI=1S/C18H25FN2O2/c19-16-11-14(17(22)20-23)5-6-15(16)12-21-10-4-9-18(13-21)7-2-1-3-8-18/h5-6,11,23H,1-4,7-10,12-13H2,(H,20,22)
InChIKeyANNRHHAMLQPMHJ-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.49
Rot. Bonds3

About 4-(2-azaspiro[5.5]undecan-2-ylmethyl)-3-fluoro-N-hydroxybenzamide

4-(2-azaspiro[5.5]undecan-2-ylmethyl)-3-fluoro-N-hydroxybenzamide (PubChem CID 155598336) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-(2-azaspiro[5.5]undecan-2-ylmethyl)-3-fluoro-N-hydroxybenzamide.

Molecular Properties

Compound Name4-(2-azaspiro[5.5]undecan-2-ylmethyl)-3-fluoro-N-hydroxybenzamide
PubChem CID155598336
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name4-(2-azaspiro[5.5]undecan-2-ylmethyl)-3-fluoro-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2CCCC3(CCCCC3)C2)c(F)c1
InChIInChI=1S/C18H25FN2O2/c19-16-11-14(17(22)20-23)5-6-15(16)12-21-10-4-9-18(13-21)7-2-1-3-8-18/h5-6,11,23H,1-4,7-10,12-13H2,(H,20,22)
InChIKeyANNRHHAMLQPMHJ-UHFFFAOYSA-N
XLogP3.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.49
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-[[3,3-di(ethyl)piperidin-1-yl]methyl]-3-fluoro-N-methylbenzamide;ethane;yttrium
CID 167634828
2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849338
methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate
CID 45221496
3-fluoro-N'-hydroxy-4-(piperidin-1-ylmethyl)benzenecarboximidamide
CID 24694417
2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane
CID 91111605
1-[(2,4-difluorophenyl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137342
1-[3-fluoro-4-(piperidin-1-ylmethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117444331
3-fluoro-N-hydroxy-5-[[(3R)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide
CID 155598520
4-(azepan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774488
2-(2-azaspiro[4.4]nonan-2-ylmethyl)-5-chloroaniline
CID 114279179
4-(azocan-1-ylmethyl)-3-bromobenzohydrazide
CID 102774506
4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide
CID 135357607

Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[5.5]undecan-2-ylmethyl)-3-fluoro-N-hydroxybenzamide?
The IUPAC name of 4-(2-azaspiro[5.5]undecan-2-ylmethyl)-3-fluoro-N-hydroxybenzamide (CID 155598336) is 4-(2-azaspiro[5.5]undecan-2-ylmethyl)-3-fluoro-N-hydroxybenzamide.
What is the SMILES notation for 4-(2-azaspiro[5.5]undecan-2-ylmethyl)-3-fluoro-N-hydroxybenzamide?
The canonical SMILES for 4-(2-azaspiro[5.5]undecan-2-ylmethyl)-3-fluoro-N-hydroxybenzamide is O=C(NO)c1ccc(CN2CCCC3(CCCCC3)C2)c(F)c1.
What is the InChIKey of 4-(2-azaspiro[5.5]undecan-2-ylmethyl)-3-fluoro-N-hydroxybenzamide?
The InChIKey is ANNRHHAMLQPMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c19-16-11-14(17(22)20-23)5-6-15(16)12-21-10-4-9-18(13-21)7-2-1-3-8-18/h5-6,11,23H,1-4,7-10,12-13H2,(H,20,22).
What are the key properties of 4-(2-azaspiro[5.5]undecan-2-ylmethyl)-3-fluoro-N-hydroxybenzamide?
4-(2-azaspiro[5.5]undecan-2-ylmethyl)-3-fluoro-N-hydroxybenzamide has a molecular weight of 320.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[5.5]undecan-2-ylmethyl)-3-fluoro-N-hydroxybenzamide is sourced from PubChem (CID 155598336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).