1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione

C18H16ClNO3 — CID 110457916

IUPAC1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1CC1CC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C18H16ClNO3/c1-23-16-8-3-2-5-12(16)9-13-10-17(21)20(18(13)22)15-7-4-6-14(19)11-15/h2-8,11,13H,9-10H2,1H3
InChIKeyQNTBOOSFXFRZFJ-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.47
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione

1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione (PubChem CID 110457916) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
PubChem CID110457916
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
SMILESCOc1ccccc1CC1CC(=O)N(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C18H16ClNO3/c1-23-16-8-3-2-5-12(16)9-13-10-17(21)20(18(13)22)15-7-4-6-14(19)11-15/h2-8,11,13H,9-10H2,1H3
InChIKeyQNTBOOSFXFRZFJ-UHFFFAOYSA-N
XLogP3.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
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

(3S)-1-(4-ethoxyphenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 790044
3-[(3-chlorophenyl)methyl]-1-phenylpyrrolidine-2,5-dione
CID 110457872
1-(3-chlorophenyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2,5-dione
CID 110457904
3-[(5-chloro-2-methoxyphenyl)methyl]-1-[2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]acetyl]azepane-2,6-dione
CID 58339215
1-(3-chlorophenyl)-3-methylpyrrolidine-2,5-dione
CID 71519662
1-(3-chlorophenyl)-3-(4-methoxyanilino)pyrrolidine-2,5-dione
CID 2841108
4-[[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]-N-(2-methoxyphenyl)benzenesulfonamide
CID 98395225
3-(3-chlorophenyl)-1-[2-(2-methoxyphenyl)ethyl]-1-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]urea
CID 5225053
1-(3-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46587015
3-benzyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 3522082
(3S)-3-benzyl-1-(3-hydroxyphenyl)pyrrolidine-2,5-dione
CID 1331425
N-[3-[(3S)-3-[(4-chlorophenyl)methyl]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 1080723

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione (CID 110457916) is 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione is COc1ccccc1CC1CC(=O)N(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
The InChIKey is QNTBOOSFXFRZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-23-16-8-3-2-5-12(16)9-13-10-17(21)20(18(13)22)15-7-4-6-14(19)11-15/h2-8,11,13H,9-10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione?
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione has a molecular weight of 329.78 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 110457916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).