N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide

C19H25FN2O5 — CID 45177601

IUPACN-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)CC1(c2ccccc2F)CC(=O)N(CCOC)C1=O
InChIInChI=1S/C19H25FN2O5/c1-3-21(8-10-23)16(24)12-19(14-6-4-5-7-15(14)20)13-17(25)22(18(19)26)9-11-27-2/h4-7,23H,3,8-13H2,1-2H3
InChIKeyRCHPJQSGCYUYJH-UHFFFAOYSA-N
MW380.42 g/mol
LogP0.70
Rot. Bonds9

About N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide

N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 45177601) has the molecular formula C19H25FN2O5 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID45177601
Molecular FormulaC19H25FN2O5
Molecular Weight380.42 g/mol
Exact Mass380.17
IUPAC NameN-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide
SMILESCCN(CCO)C(=O)CC1(c2ccccc2F)CC(=O)N(CCOC)C1=O
InChIInChI=1S/C19H25FN2O5/c1-3-21(8-10-23)16(24)12-19(14-6-4-5-7-15(14)20)13-17(25)22(18(19)26)9-11-27-2/h4-7,23H,3,8-13H2,1-2H3
InChIKeyRCHPJQSGCYUYJH-UHFFFAOYSA-N
XLogP0.70
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide (CID 45177601) is N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide is CCN(CCO)C(=O)CC1(c2ccccc2F)CC(=O)N(CCOC)C1=O.
What is the InChIKey of N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is RCHPJQSGCYUYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O5/c1-3-21(8-10-23)16(24)12-19(14-6-4-5-7-15(14)20)13-17(25)22(18(19)26)9-11-27-2/h4-7,23H,3,8-13H2,1-2H3.
What are the key properties of N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide?
N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 380.42 g/mol, XLogP of 0.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 45177601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).