1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C14H16ClFN2O3 — CID 4110392

IUPAC1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C14H16ClFN2O3/c1-21-5-4-17-14(20)9-6-13(19)18(8-9)10-2-3-12(16)11(15)7-10/h2-3,7,9H,4-6,8H2,1H3,(H,17,20)
InChIKeyGDNVOVLQNUUTSL-UHFFFAOYSA-N
MW314.74 g/mol
LogP1.59
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 4110392) has the molecular formula C14H16ClFN2O3 and a molecular weight of 314.74 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID4110392
Molecular FormulaC14H16ClFN2O3
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C14H16ClFN2O3/c1-21-5-4-17-14(20)9-6-13(19)18(8-9)10-2-3-12(16)11(15)7-10/h2-3,7,9H,4-6,8H2,1H3,(H,17,20)
InChIKeyGDNVOVLQNUUTSL-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 4110392) is 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCNC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GDNVOVLQNUUTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O3/c1-21-5-4-17-14(20)9-6-13(19)18(8-9)10-2-3-12(16)11(15)7-10/h2-3,7,9H,4-6,8H2,1H3,(H,17,20).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-5-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-(3-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4110392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).