3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide

C26H24FN3O2 — CID 163627957

IUPAC3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide
SMILESCOc1cccc(C2(NC(=O)c3cccc(-c4ccc5c(c4)C(F)=NC5)c3)CCNC2)c1
InChIInChI=1S/C26H24FN3O2/c1-32-22-7-3-6-21(14-22)26(10-11-28-16-26)30-25(31)19-5-2-4-17(12-19)18-8-9-20-15-29-24(27)23(20)13-18/h2-9,12-14,28H,10-11,15-16H2,1H3,(H,30,31)
InChIKeyHTPVXMOULGBIHV-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.21
Rot. Bonds5

About 3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide

3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide (PubChem CID 163627957) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide
PubChem CID163627957
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide
SMILESCOc1cccc(C2(NC(=O)c3cccc(-c4ccc5c(c4)C(F)=NC5)c3)CCNC2)c1
InChIInChI=1S/C26H24FN3O2/c1-32-22-7-3-6-21(14-22)26(10-11-28-16-26)30-25(31)19-5-2-4-17(12-19)18-8-9-20-15-29-24(27)23(20)13-18/h2-9,12-14,28H,10-11,15-16H2,1H3,(H,30,31)
InChIKeyHTPVXMOULGBIHV-UHFFFAOYSA-N
XLogP4.21
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide (CID 163627957) is 3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide is COc1cccc(C2(NC(=O)c3cccc(-c4ccc5c(c4)C(F)=NC5)c3)CCNC2)c1.
What is the InChIKey of 3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide?
The InChIKey is HTPVXMOULGBIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-32-22-7-3-6-21(14-22)26(10-11-28-16-26)30-25(31)19-5-2-4-17(12-19)18-8-9-20-15-29-24(27)23(20)13-18/h2-9,12-14,28H,10-11,15-16H2,1H3,(H,30,31).
What are the key properties of 3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide?
3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide has a molecular weight of 429.50 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-1H-isoindol-5-yl)-N-[3-(3-methoxyphenyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 163627957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).