3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide

C19H27FN2O2 — CID 155598289

IUPAC3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide
SMILESCN1CC2(CCCCC2)CC[C@H]1Cc1cc(F)cc(C(=O)NO)c1
InChIInChI=1S/C19H27FN2O2/c1-22-13-19(6-3-2-4-7-19)8-5-17(22)11-14-9-15(18(23)21-24)12-16(20)10-14/h9-10,12,17,24H,2-8,11,13H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyKDNQXZWMWWVUMN-KRWDZBQOSA-N
MW334.44 g/mol
LogP3.53
Rot. Bonds3

About 3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide

3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide (PubChem CID 155598289) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide
PubChem CID155598289
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide
SMILESCN1CC2(CCCCC2)CC[C@H]1Cc1cc(F)cc(C(=O)NO)c1
InChIInChI=1S/C19H27FN2O2/c1-22-13-19(6-3-2-4-7-19)8-5-17(22)11-14-9-15(18(23)21-24)12-16(20)10-14/h9-10,12,17,24H,2-8,11,13H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyKDNQXZWMWWVUMN-KRWDZBQOSA-N
XLogP3.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.53
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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide?
The IUPAC name of 3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide (CID 155598289) is 3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide is CN1CC2(CCCCC2)CC[C@H]1Cc1cc(F)cc(C(=O)NO)c1.
What is the InChIKey of 3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide?
The InChIKey is KDNQXZWMWWVUMN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-22-13-19(6-3-2-4-7-19)8-5-17(22)11-14-9-15(18(23)21-24)12-16(20)10-14/h9-10,12,17,24H,2-8,11,13H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of 3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide?
3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide has a molecular weight of 334.44 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-hydroxy-5-[[(3S)-2-methyl-2-azaspiro[5.5]undecan-3-yl]methyl]benzamide is sourced from PubChem (CID 155598289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).