1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C14H16Cl2N2O3 — CID 113191224

IUPAC1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1CC(=O)N(c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C14H16Cl2N2O3/c1-21-6-5-17-14(20)9-7-12(19)18(8-9)13-10(15)3-2-4-11(13)16/h2-4,9H,5-8H2,1H3,(H,17,20)
InChIKeyNZKOOCUJOSHCNQ-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.11
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113191224) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113191224
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1CC(=O)N(c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C14H16Cl2N2O3/c1-21-6-5-17-14(20)9-7-12(19)18(8-9)13-10(15)3-2-4-11(13)16/h2-4,9H,5-8H2,1H3,(H,17,20)
InChIKeyNZKOOCUJOSHCNQ-UHFFFAOYSA-N
XLogP2.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dichlorophenyl)-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113191264
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 6463324
1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 47006883
(3R)-1-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 26615651
N-(2-methoxyethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113190080
(3R)-1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 9351397
1-(2,6-dichlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113191212
1-(2,6-dichlorophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191238
1-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186244
N-(2-methoxyethyl)-1-[4-(4-methylpiperidin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189925
1-(1H-indazol-3-yl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 71701607
1-(2,6-dichlorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113191249

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 113191224) is 1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCNC(=O)C1CC(=O)N(c2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NZKOOCUJOSHCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-21-6-5-17-14(20)9-7-12(19)18(8-9)13-10(15)3-2-4-11(13)16/h2-4,9H,5-8H2,1H3,(H,17,20).
What are the key properties of 1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 331.20 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113191224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).