3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide

C23H27N3O2 — CID 118783080

IUPAC3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide
SMILESCNC(=O)C1(NC(=O)c2cccc(N3Cc4ccccc4C3)c2)CCCCC1
InChIInChI=1S/C23H27N3O2/c1-24-22(28)23(12-5-2-6-13-23)25-21(27)17-10-7-11-20(14-17)26-15-18-8-3-4-9-19(18)16-26/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyARGPGWRFMMTCOH-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.39
Rot. Bonds4

About 3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide

3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide (PubChem CID 118783080) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide
PubChem CID118783080
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide
SMILESCNC(=O)C1(NC(=O)c2cccc(N3Cc4ccccc4C3)c2)CCCCC1
InChIInChI=1S/C23H27N3O2/c1-24-22(28)23(12-5-2-6-13-23)25-21(27)17-10-7-11-20(14-17)26-15-18-8-3-4-9-19(18)16-26/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H,24,28)(H,25,27)
InChIKeyARGPGWRFMMTCOH-UHFFFAOYSA-N
XLogP3.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide?
The IUPAC name of 3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide (CID 118783080) is 3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide.
What is the SMILES notation for 3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide?
The canonical SMILES for 3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide is CNC(=O)C1(NC(=O)c2cccc(N3Cc4ccccc4C3)c2)CCCCC1.
What is the InChIKey of 3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide?
The InChIKey is ARGPGWRFMMTCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-24-22(28)23(12-5-2-6-13-23)25-21(27)17-10-7-11-20(14-17)26-15-18-8-3-4-9-19(18)16-26/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide?
3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dihydroisoindol-2-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide is sourced from PubChem (CID 118783080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).