3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione

C18H17ClN2O2 — CID 135057308

IUPAC3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
SMILESCC1(Cc2ccc(Cl)cc2)CC(=O)N(Cc2ccccn2)C1=O
InChIInChI=1S/C18H17ClN2O2/c1-18(10-13-5-7-14(19)8-6-13)11-16(22)21(17(18)23)12-15-4-2-3-9-20-15/h2-9H,10-12H2,1H3
InChIKeyPOYJGOQRLHCJJL-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.24
Rot. Bonds4

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

3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione (PubChem CID 135057308) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
PubChem CID135057308
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
SMILESCC1(Cc2ccc(Cl)cc2)CC(=O)N(Cc2ccccn2)C1=O
InChIInChI=1S/C18H17ClN2O2/c1-18(10-13-5-7-14(19)8-6-13)11-16(22)21(17(18)23)12-15-4-2-3-9-20-15/h2-9H,10-12H2,1H3
InChIKeyPOYJGOQRLHCJJL-UHFFFAOYSA-N
XLogP3.24
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.24
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

3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
CID 135059093
2-[5-chloro-2,2',5'-trioxo-1'-(pyridin-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetic acid
CID 15950188
(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 99637339
3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
CID 102582008
5-(3-chlorophenyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 86795432
N-[(4-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39878072
(4E)-5-(4-chlorophenyl)-4-[(4-ethylphenyl)-hydroxymethylidene]-1-(pyridin-2-ylmethyl)pyrrolidine-2,3-dione
CID 108600237
3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 66074326
1-(pyridin-2-ylmethyl)-3H-indol-2-one
CID 90893291
(3S)-3'-(pyridin-2-ylmethyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
CID 124590759
3-(4-chlorophenyl)-4-(2,6-dimethylmorpholin-4-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110569396
(3R)-1-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-3-methyl-3-(2-methylpropyl)pyrrolidine-2,5-dione
CID 129402871

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione (CID 135057308) is 3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione is CC1(Cc2ccc(Cl)cc2)CC(=O)N(Cc2ccccn2)C1=O.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione?
The InChIKey is POYJGOQRLHCJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-18(10-13-5-7-14(19)8-6-13)11-16(22)21(17(18)23)12-15-4-2-3-9-20-15/h2-9H,10-12H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione?
3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione has a molecular weight of 328.80 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 135057308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).