3-(3-fluoro-2-phenoxypropyl)-N-pyrrolidin-3-ylbenzamide

C20H23FN2O2 — CID 90770811

IUPAC3-(3-fluoro-2-phenoxypropyl)-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1cccc(CC(CF)Oc2ccccc2)c1
InChIInChI=1S/C20H23FN2O2/c21-13-19(25-18-7-2-1-3-8-18)12-15-5-4-6-16(11-15)20(24)23-17-9-10-22-14-17/h1-8,11,17,19,22H,9-10,12-14H2,(H,23,24)
InChIKeyVVZVHOJTOFBUHO-UHFFFAOYSA-N
MW342.41 g/mol
LogP2.74
Rot. Bonds7

About 3-(3-fluoro-2-phenoxypropyl)-N-pyrrolidin-3-ylbenzamide

3-(3-fluoro-2-phenoxypropyl)-N-pyrrolidin-3-ylbenzamide (PubChem CID 90770811) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-(3-fluoro-2-phenoxypropyl)-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-(3-fluoro-2-phenoxypropyl)-N-pyrrolidin-3-ylbenzamide
PubChem CID90770811
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-(3-fluoro-2-phenoxypropyl)-N-pyrrolidin-3-ylbenzamide
SMILESO=C(NC1CCNC1)c1cccc(CC(CF)Oc2ccccc2)c1
InChIInChI=1S/C20H23FN2O2/c21-13-19(25-18-7-2-1-3-8-18)12-15-5-4-6-16(11-15)20(24)23-17-9-10-22-14-17/h1-8,11,17,19,22H,9-10,12-14H2,(H,23,24)
InChIKeyVVZVHOJTOFBUHO-UHFFFAOYSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449796
3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
3-[(2-bromophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide
CID 119449633
3-N-[(3S)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79689469
3-N-[(3R)-pyrrolidin-3-yl]benzene-1,3-dicarboxamide
CID 79688346
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-pyrrolidin-3-ylbenzamide
CID 119452950
3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide
CID 77096218
N-piperidin-3-ylbenzamide
CID 22017045
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451087
3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119451588
3,4-dihydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107728777

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-phenoxypropyl)-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-(3-fluoro-2-phenoxypropyl)-N-pyrrolidin-3-ylbenzamide (CID 90770811) is 3-(3-fluoro-2-phenoxypropyl)-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-(3-fluoro-2-phenoxypropyl)-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-(3-fluoro-2-phenoxypropyl)-N-pyrrolidin-3-ylbenzamide is O=C(NC1CCNC1)c1cccc(CC(CF)Oc2ccccc2)c1.
What is the InChIKey of 3-(3-fluoro-2-phenoxypropyl)-N-pyrrolidin-3-ylbenzamide?
The InChIKey is VVZVHOJTOFBUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-13-19(25-18-7-2-1-3-8-18)12-15-5-4-6-16(11-15)20(24)23-17-9-10-22-14-17/h1-8,11,17,19,22H,9-10,12-14H2,(H,23,24).
What are the key properties of 3-(3-fluoro-2-phenoxypropyl)-N-pyrrolidin-3-ylbenzamide?
3-(3-fluoro-2-phenoxypropyl)-N-pyrrolidin-3-ylbenzamide has a molecular weight of 342.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-phenoxypropyl)-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 90770811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).