5-fluoro-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide

C21H23FN2O2 — CID 56885392

IUPAC5-fluoro-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C21H23FN2O2/c1-13-6-7-14(22)12-16(13)20(26)24-18-15-4-2-3-5-17(15)21(19(18)25)8-10-23-11-9-21/h2-7,12,18-19,23,25H,8-11H2,1H3,(H,24,26)/t18-,19+/m1/s1
InChIKeyMLWWMLPHCSIGTL-MOPGFXCFSA-N
MW354.43 g/mol
LogP2.60
Rot. Bonds2

About 5-fluoro-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide

5-fluoro-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide (PubChem CID 56885392) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 5-fluoro-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide
PubChem CID56885392
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name5-fluoro-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide
SMILESCc1ccc(F)cc1C(=O)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C21H23FN2O2/c1-13-6-7-14(22)12-16(13)20(26)24-18-15-4-2-3-5-17(15)21(19(18)25)8-10-23-11-9-21/h2-7,12,18-19,23,25H,8-11H2,1H3,(H,24,26)/t18-,19+/m1/s1
InChIKeyMLWWMLPHCSIGTL-MOPGFXCFSA-N
XLogP2.60
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide?
The IUPAC name of 5-fluoro-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide (CID 56885392) is 5-fluoro-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide.
What is the SMILES notation for 5-fluoro-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide?
The canonical SMILES for 5-fluoro-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide is Cc1ccc(F)cc1C(=O)N[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O.
What is the InChIKey of 5-fluoro-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide?
The InChIKey is MLWWMLPHCSIGTL-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-13-6-7-14(22)12-16(13)20(26)24-18-15-4-2-3-5-17(15)21(19(18)25)8-10-23-11-9-21/h2-7,12,18-19,23,25H,8-11H2,1H3,(H,24,26)/t18-,19+/m1/s1.
What are the key properties of 5-fluoro-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide?
5-fluoro-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide has a molecular weight of 354.43 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-methylbenzamide is sourced from PubChem (CID 56885392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).