3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione

C21H20ClN3O3 — CID 171846212

IUPAC3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
SMILESCN1CCN(c2ccc(-c3cccc(C4CCC(=O)NC4=O)c3Cl)cc2)C1=O
InChIInChI=1S/C21H20ClN3O3/c1-24-11-12-25(21(24)28)14-7-5-13(6-8-14)15-3-2-4-16(19(15)22)17-9-10-18(26)23-20(17)27/h2-8,17H,9-12H2,1H3,(H,23,26,27)
InChIKeyJPWOGVGTSDYJTD-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.40
Rot. Bonds3

About 3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione

3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione (PubChem CID 171846212) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
PubChem CID171846212
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione
SMILESCN1CCN(c2ccc(-c3cccc(C4CCC(=O)NC4=O)c3Cl)cc2)C1=O
InChIInChI=1S/C21H20ClN3O3/c1-24-11-12-25(21(24)28)14-7-5-13(6-8-14)15-3-2-4-16(19(15)22)17-9-10-18(26)23-20(17)27/h2-8,17H,9-12H2,1H3,(H,23,26,27)
InChIKeyJPWOGVGTSDYJTD-UHFFFAOYSA-N
XLogP3.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[2-chloro-3-[4-(4-fluoro-2-oxo-1-pyridinyl)phenyl]phenyl]piperidine-2,6-dione
CID 171845963
(3S)-3-[2-chloro-3-[4-(propan-2-ylamino)phenyl]phenyl]piperidine-2,6-dione
CID 178099618
3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione
CID 171846709
3-[2-chloro-3-[4-[(3-methyloxetan-3-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846725
3-[2-chloro-3-[4-[1-(2-oxopiperidin-1-yl)cyclopropyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846191
3-[2-chloro-3-[4-[2-oxo-6-(trifluoromethyl)piperidin-1-yl]phenyl]phenyl]piperidine-2,6-dione
CID 171846480
3-[2-chloro-3-[4-[(4,4-dimethyl-2-oxopiperidin-1-yl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846090
3-[2-chloro-3-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]phenyl]piperidine-2,6-dione
CID 171846551
3-[2-chloro-3-[4-(6-oxo-2-oxa-5-azaspiro[3.5]nonan-5-yl)phenyl]phenyl]piperidine-2,6-dione
CID 171845993
3-[2-chloro-3-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]piperidine-2,6-dione
CID 171846214
3-[2-chloro-3-[4-[3-oxo-5-(trifluoromethyl)morpholin-4-yl]phenyl]phenyl]piperidine-2,6-dione
CID 171846600
N-[4-[2-chloro-3-(2,6-dioxopiperidin-3-yl)phenyl]phenyl]-N,1-dimethylpyrazole-3-carboxamide
CID 171845915

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione (CID 171846212) is 3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione is CN1CCN(c2ccc(-c3cccc(C4CCC(=O)NC4=O)c3Cl)cc2)C1=O.
What is the InChIKey of 3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione?
The InChIKey is JPWOGVGTSDYJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-24-11-12-25(21(24)28)14-7-5-13(6-8-14)15-3-2-4-16(19(15)22)17-9-10-18(26)23-20(17)27/h2-8,17H,9-12H2,1H3,(H,23,26,27).
What are the key properties of 3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione?
3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione has a molecular weight of 397.86 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]phenyl]piperidine-2,6-dione is sourced from PubChem (CID 171846212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).