2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide

C16H19FN2O4 — CID 97428333

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
SMILESCO[C@](C)(CNC(=O)CN1C(=O)CCC1=O)c1ccccc1F
InChIInChI=1S/C16H19FN2O4/c1-16(23-2,11-5-3-4-6-12(11)17)10-18-13(20)9-19-14(21)7-8-15(19)22/h3-6H,7-10H2,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyZNQFLKMTVHZEJP-MRXNPFEDSA-N
MW322.34 g/mol
LogP0.95
Rot. Bonds6

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide (PubChem CID 97428333) has the molecular formula C16H19FN2O4 and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
PubChem CID97428333
Molecular FormulaC16H19FN2O4
Molecular Weight322.34 g/mol
Exact Mass322.13
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide
SMILESCO[C@](C)(CNC(=O)CN1C(=O)CCC1=O)c1ccccc1F
InChIInChI=1S/C16H19FN2O4/c1-16(23-2,11-5-3-4-6-12(11)17)10-18-13(20)9-19-14(21)7-8-15(19)22/h3-6H,7-10H2,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyZNQFLKMTVHZEJP-MRXNPFEDSA-N
XLogP0.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide (CID 97428333) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide is CO[C@](C)(CNC(=O)CN1C(=O)CCC1=O)c1ccccc1F.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide?
The InChIKey is ZNQFLKMTVHZEJP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19FN2O4/c1-16(23-2,11-5-3-4-6-12(11)17)10-18-13(20)9-19-14(21)7-8-15(19)22/h3-6H,7-10H2,1-2H3,(H,18,20)/t16-/m1/s1.
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide has a molecular weight of 322.34 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]acetamide is sourced from PubChem (CID 97428333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).