3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide

C17H15ClN2O2 — CID 86872687

IUPAC3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C17H15ClN2O2/c18-15-4-2-1-3-11(15)6-8-16(21)20-13-7-5-12-10-19-17(22)14(12)9-13/h1-5,7,9H,6,8,10H2,(H,19,22)(H,20,21)
InChIKeyOIHBPIDOYAZWNU-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.15
Rot. Bonds4

About 3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide

3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide (PubChem CID 86872687) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide
PubChem CID86872687
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide
SMILESO=C(CCc1ccccc1Cl)Nc1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C17H15ClN2O2/c18-15-4-2-1-3-11(15)6-8-16(21)20-13-7-5-12-10-19-17(22)14(12)9-13/h1-5,7,9H,6,8,10H2,(H,19,22)(H,20,21)
InChIKeyOIHBPIDOYAZWNU-UHFFFAOYSA-N
XLogP3.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide (CID 86872687) is 3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide is O=C(CCc1ccccc1Cl)Nc1ccc2c(c1)C(=O)NC2.
What is the InChIKey of 3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide?
The InChIKey is OIHBPIDOYAZWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-15-4-2-1-3-11(15)6-8-16(21)20-13-7-5-12-10-19-17(22)14(12)9-13/h1-5,7,9H,6,8,10H2,(H,19,22)(H,20,21).
What are the key properties of 3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide?
3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide has a molecular weight of 314.77 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide is sourced from PubChem (CID 86872687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).