1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide

C14H16ClFN2O3 — CID 46048686

IUPAC1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1CCN(c2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C14H16ClFN2O3/c1-21-7-5-17-13(19)10-4-6-18(14(10)20)12-3-2-9(15)8-11(12)16/h2-3,8,10H,4-7H2,1H3,(H,17,19)
InChIKeyYNHPZRWQJUQALH-UHFFFAOYSA-N
MW314.74 g/mol
LogP1.59
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide

1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 46048686) has the molecular formula C14H16ClFN2O3 and a molecular weight of 314.74 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID46048686
Molecular FormulaC14H16ClFN2O3
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1CCN(c2ccc(Cl)cc2F)C1=O
InChIInChI=1S/C14H16ClFN2O3/c1-21-7-5-17-13(19)10-4-6-18(14(10)20)12-3-2-9(15)8-11(12)16/h2-3,8,10H,4-7H2,1H3,(H,17,19)
InChIKeyYNHPZRWQJUQALH-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide (CID 46048686) is 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide is COCCNC(=O)C1CCN(c2ccc(Cl)cc2F)C1=O.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is YNHPZRWQJUQALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O3/c1-21-7-5-17-13(19)10-4-6-18(14(10)20)12-3-2-9(15)8-11(12)16/h2-3,8,10H,4-7H2,1H3,(H,17,19).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide?
1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 314.74 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46048686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).