1-(5-chloro-2-pyridinyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione

C18H17ClN2O2 — CID 4887430

IUPAC1-(5-chloro-2-pyridinyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1cc(C)cc(CC2CC(=O)N(c3ccc(Cl)cn3)C2=O)c1
InChIInChI=1S/C18H17ClN2O2/c1-11-5-12(2)7-13(6-11)8-14-9-17(22)21(18(14)23)16-4-3-15(19)10-20-16/h3-7,10,14H,8-9H2,1-2H3
InChIKeyKHWPSDKYGPRXRX-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.47
Rot. Bonds3

About 1-(5-chloro-2-pyridinyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione

1-(5-chloro-2-pyridinyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 4887430) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID4887430
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name1-(5-chloro-2-pyridinyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione
SMILESCc1cc(C)cc(CC2CC(=O)N(c3ccc(Cl)cn3)C2=O)c1
InChIInChI=1S/C18H17ClN2O2/c1-11-5-12(2)7-13(6-11)8-14-9-17(22)21(18(14)23)16-4-3-15(19)10-20-16/h3-7,10,14H,8-9H2,1-2H3
InChIKeyKHWPSDKYGPRXRX-UHFFFAOYSA-N
XLogP3.47
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.47
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-(4-chlorophenyl)-N-(5-chloropyridin-2-yl)acetamide
CID 669846
2-(4-chlorophenyl)-N-(pyridin-2-yl)acetamide
CID 670085
2,2-dichloro-N-(5-chloro-2-pyridinyl)-3-phenylcyclopropanecarboxamide
CID 3120148
N-(5-chloropyridin-2-yl)-2-(4-methylphenyl)acetamide
CID 891155
2-(4-chlorophenyl)-N-(4-chloropyridin-2-yl)acetamide
CID 898875
2-(4-chlorophenyl)-N-(5-methylpyridin-2-yl)acetamide
CID 903280
N-benzyl-2-(2-chloro-6-fluorophenyl)-N-2-pyridinylacetamide
CID 1241672
N-((5-chloropyridin-2-yl)carbamoyl)benzamide
CID 2987279
1-(4-Chloropyridin-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
CID 3545931
1-(4-Chloropyridin-2-yl)-3-methyl-4-(4-methylbenzyl)pyrrolidine-2,5-dione
CID 3594322
1-(4-Chloro-2-pyridinyl)-3-(1-phenylethyl)-2,5-pyrrolidinedione
CID 3753925
3-[(4-Chlorophenyl)methyl]-1-(4-chloropyridin-2-yl)pyrrolidine-2,5-dione
CID 3822725

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione (CID 4887430) is 1-(5-chloro-2-pyridinyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione is Cc1cc(C)cc(CC2CC(=O)N(c3ccc(Cl)cn3)C2=O)c1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is KHWPSDKYGPRXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-5-12(2)7-13(6-11)8-14-9-17(22)21(18(14)23)16-4-3-15(19)10-20-16/h3-7,10,14H,8-9H2,1-2H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione?
1-(5-chloro-2-pyridinyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 328.80 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-3-[(3,5-dimethylphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 4887430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).