N-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide

C14H17FN2O4 — CID 154857645

IUPACN-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCCONC(=O)C1CC(O)CN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O4/c1-2-21-16-13(19)12-7-11(18)8-17(12)14(20)9-3-5-10(15)6-4-9/h3-6,11-12,18H,2,7-8H2,1H3,(H,16,19)
InChIKeyMOMSFNHEFLSZPH-UHFFFAOYSA-N
MW296.30 g/mol
LogP0.47
Rot. Bonds4

About N-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide

N-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 154857645) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is N-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID154857645
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC NameN-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCCONC(=O)C1CC(O)CN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H17FN2O4/c1-2-21-16-13(19)12-7-11(18)8-17(12)14(20)9-3-5-10(15)6-4-9/h3-6,11-12,18H,2,7-8H2,1H3,(H,16,19)
InChIKeyMOMSFNHEFLSZPH-UHFFFAOYSA-N
XLogP0.47
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide (CID 154857645) is N-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide is CCONC(=O)C1CC(O)CN1C(=O)c1ccc(F)cc1.
What is the InChIKey of N-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is MOMSFNHEFLSZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-2-21-16-13(19)12-7-11(18)8-17(12)14(20)9-3-5-10(15)6-4-9/h3-6,11-12,18H,2,7-8H2,1H3,(H,16,19).
What are the key properties of N-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide?
N-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 296.30 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 154857645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).