3-(1,3-dihydroisoindol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide

C21H25N3O — CID 95214577

IUPAC3-(1,3-dihydroisoindol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide
SMILESCN1CC[C@H](CNC(=O)c2cccc(N3Cc4ccccc4C3)c2)C1
InChIInChI=1S/C21H25N3O/c1-23-10-9-16(13-23)12-22-21(25)17-7-4-8-20(11-17)24-14-18-5-2-3-6-19(18)15-24/h2-8,11,16H,9-10,12-15H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyUHWVBKNBFIDQLL-MRXNPFEDSA-N
MW335.45 g/mol
LogP2.89
Rot. Bonds4

About 3-(1,3-dihydroisoindol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide

3-(1,3-dihydroisoindol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide (PubChem CID 95214577) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide
PubChem CID95214577
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name3-(1,3-dihydroisoindol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide
SMILESCN1CC[C@H](CNC(=O)c2cccc(N3Cc4ccccc4C3)c2)C1
InChIInChI=1S/C21H25N3O/c1-23-10-9-16(13-23)12-22-21(25)17-7-4-8-20(11-17)24-14-18-5-2-3-6-19(18)15-24/h2-8,11,16H,9-10,12-15H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyUHWVBKNBFIDQLL-MRXNPFEDSA-N
XLogP2.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide (CID 95214577) is 3-(1,3-dihydroisoindol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide is CN1CC[C@H](CNC(=O)c2cccc(N3Cc4ccccc4C3)c2)C1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide?
The InChIKey is UHWVBKNBFIDQLL-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N3O/c1-23-10-9-16(13-23)12-22-21(25)17-7-4-8-20(11-17)24-14-18-5-2-3-6-19(18)15-24/h2-8,11,16H,9-10,12-15H2,1H3,(H,22,25)/t16-/m1/s1.
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide?
3-(1,3-dihydroisoindol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide has a molecular weight of 335.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 95214577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).