2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide

C14H19FN2O3 — CID 106672010

IUPAC2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)CN1CC(O)C(O)C1)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c1-2-17(11-5-3-10(15)4-6-11)14(20)9-16-7-12(18)13(19)8-16/h3-6,12-13,18-19H,2,7-9H2,1H3
InChIKeyNIUURARIRMMDKC-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.22
Rot. Bonds4

About 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide

2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide (PubChem CID 106672010) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
PubChem CID106672010
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)CN1CC(O)C(O)C1)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O3/c1-2-17(11-5-3-10(15)4-6-11)14(20)9-16-7-12(18)13(19)8-16/h3-6,12-13,18-19H,2,7-9H2,1H3
InChIKeyNIUURARIRMMDKC-UHFFFAOYSA-N
XLogP0.22
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide (CID 106672010) is 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide is CCN(C(=O)CN1CC(O)C(O)C1)c1ccc(F)cc1.
What is the InChIKey of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide?
The InChIKey is NIUURARIRMMDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-2-17(11-5-3-10(15)4-6-11)14(20)9-16-7-12(18)13(19)8-16/h3-6,12-13,18-19H,2,7-9H2,1H3.
What are the key properties of 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide?
2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide has a molecular weight of 282.31 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 106672010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).