(3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione

C16H13ClN2O2 — CID 846260

IUPAC(3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccn1
InChIInChI=1S/C16H13ClN2O2/c17-13-6-4-11(5-7-13)9-12-10-15(20)19(16(12)21)14-3-1-2-8-18-14/h1-8,12H,9-10H2/t12-/m0/s1
InChIKeyUXWHIYXCQLBODU-LBPRGKRZSA-N
MW300.75 g/mol
LogP2.86
Rot. Bonds3

About (3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione

(3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione (PubChem CID 846260) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is (3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione
PubChem CID846260
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name(3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione
SMILESO=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccn1
InChIInChI=1S/C16H13ClN2O2/c17-13-6-4-11(5-7-13)9-12-10-15(20)19(16(12)21)14-3-1-2-8-18-14/h1-8,12H,9-10H2/t12-/m0/s1
InChIKeyUXWHIYXCQLBODU-LBPRGKRZSA-N
XLogP2.86
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.86
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

(3S)-3-[(4-methylphenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione
CID 846261
3-[(4-chlorophenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
CID 2940398
3-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpyrrolidine-2,5-dione
CID 2956902
3-[(4-chlorophenyl)methyl]-1-(4-phenylphenyl)pyrrolidine-2,5-dione
CID 3133545
3-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2868769
(3R)-3-[(4-chlorophenyl)methyl]-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-2,5-dione
CID 1091337
(3S)-1-(1,3-benzothiazol-2-yl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
CID 1079268
(3S)-3-[(4-methylphenyl)methyl]-1-pyrimidin-2-ylpyrrolidine-2,5-dione
CID 2002534
3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 3522082
(3R)-1-(2-chloro-3-methylphenyl)-3-[(4-chlorophenyl)methyl]pyrrolidine-2,5-dione
CID 797214
N-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 1080723
(3S)-3-benzyl-1-quinolin-2-ylpyrrolidine-2,5-dione
CID 744203

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione (CID 846260) is (3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione is O=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccn1.
What is the InChIKey of (3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione?
The InChIKey is UXWHIYXCQLBODU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c17-13-6-4-11(5-7-13)9-12-10-15(20)19(16(12)21)14-3-1-2-8-18-14/h1-8,12H,9-10H2/t12-/m0/s1.
What are the key properties of (3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione?
(3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione has a molecular weight of 300.75 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-chlorophenyl)methyl]-1-pyridin-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 846260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).