1-(5-chloro-2-methoxybenzoyl)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide

C18H20ClN3O5 — CID 127622849

IUPAC1-(5-chloro-2-methoxybenzoyl)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C18H20ClN3O5/c1-27-14-6-4-10(19)9-11(14)18(26)22-8-2-3-13(22)17(25)20-12-5-7-15(23)21-16(12)24/h4,6,9,12-13H,2-3,5,7-8H2,1H3,(H,20,25)(H,21,23,24)
InChIKeyZBTGLVVYSKCQLE-UHFFFAOYSA-N
MW393.83 g/mol
LogP0.87
Rot. Bonds4

About 1-(5-chloro-2-methoxybenzoyl)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide

1-(5-chloro-2-methoxybenzoyl)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide (PubChem CID 127622849) has the molecular formula C18H20ClN3O5 and a molecular weight of 393.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide
PubChem CID127622849
Molecular FormulaC18H20ClN3O5
Molecular Weight393.83 g/mol
Exact Mass393.11
IUPAC Name1-(5-chloro-2-methoxybenzoyl)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C18H20ClN3O5/c1-27-14-6-4-10(19)9-11(14)18(26)22-8-2-3-13(22)17(25)20-12-5-7-15(23)21-16(12)24/h4,6,9,12-13H,2-3,5,7-8H2,1H3,(H,20,25)(H,21,23,24)
InChIKeyZBTGLVVYSKCQLE-UHFFFAOYSA-N
XLogP0.87
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
1-(5-chloro-2-methoxybenzoyl)-N'-(cyclopentanecarbonyl)pyrrolidine-2-carbohydrazide
CID 56829298
(2S)-1-(5-chloro-2-methoxybenzoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 95271430
N-(2-amino-2-methylpropyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119627222
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
1-(5-chloro-2-methoxybenzoyl)-N-(2,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 47027021
1-(5-chloro-2-methoxybenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55623881
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 95275225
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]pyrrolidine-2-carboxamide
CID 95275224
N-(3-aminobutyl)-1-(5-chloro-2-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 119496267
1-(5-chloro-2-methoxybenzoyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide
CID 55625538
(2R)-1-(5-chloro-2-methoxybenzoyl)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 95159843

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide (CID 127622849) is 1-(5-chloro-2-methoxybenzoyl)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCCC1C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is ZBTGLVVYSKCQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5/c1-27-14-6-4-10(19)9-11(14)18(26)22-8-2-3-13(22)17(25)20-12-5-7-15(23)21-16(12)24/h4,6,9,12-13H,2-3,5,7-8H2,1H3,(H,20,25)(H,21,23,24).
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide?
1-(5-chloro-2-methoxybenzoyl)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)-N-(2,6-dioxopiperidin-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 127622849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).