2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione

C18H15ClN2O2 — CID 168517760

IUPAC2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(Cl)ccc1N1CCCC1
InChIInChI=1S/C18H15ClN2O2/c19-12-7-8-15(20-9-3-4-10-20)16(11-12)21-17(22)13-5-1-2-6-14(13)18(21)23/h1-2,5-8,11H,3-4,9-10H2
InChIKeyBFGVMAFLMREJSL-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.74
Rot. Bonds2

About 2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione

2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione (PubChem CID 168517760) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione
PubChem CID168517760
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(Cl)ccc1N1CCCC1
InChIInChI=1S/C18H15ClN2O2/c19-12-7-8-15(20-9-3-4-10-20)16(11-12)21-17(22)13-5-1-2-6-14(13)18(21)23/h1-2,5-8,11H,3-4,9-10H2
InChIKeyBFGVMAFLMREJSL-UHFFFAOYSA-N
XLogP3.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[5-chloro-2-(2-methylpiperidin-1-yl)phenyl]isoindole-1,3-dione
CID 168516573
3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110568680
1-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110570533
2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione
CID 2813240
2-(2-methoxy-4-piperidin-1-ylphenyl)isoindole-1,3-dione
CID 168516530
4-chloro-2-pyrrolidin-1-ylaniline
CID 58812033
2-(azepan-1-yl)-4-chloroaniline
CID 79688976
2-(azetidin-1-yl)-5-chlorobenzoic acid
CID 127018592
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110571137
2-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 168517524
1-(4-chloro-2-iodophenyl)azepane
CID 107641046
2-(2-chlorophenyl)-4-(piperidin-1-ylmethylidene)isoquinoline-1,3-dione
CID 3431269

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione?
The IUPAC name of 2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione (CID 168517760) is 2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione?
The canonical SMILES for 2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cc(Cl)ccc1N1CCCC1.
What is the InChIKey of 2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione?
The InChIKey is BFGVMAFLMREJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-12-7-8-15(20-9-3-4-10-20)16(11-12)21-17(22)13-5-1-2-6-14(13)18(21)23/h1-2,5-8,11H,3-4,9-10H2.
What are the key properties of 2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione?
2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione has a molecular weight of 326.78 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyrrolidin-1-ylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 168517760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).