2-(4-fluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide

C20H23FN2O3 — CID 18392012

IUPAC2-(4-fluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N(O)[C@H](CN1CC[C@H](O)C1)c1ccccc1
InChIInChI=1S/C20H23FN2O3/c21-17-8-6-15(7-9-17)12-20(25)23(26)19(16-4-2-1-3-5-16)14-22-11-10-18(24)13-22/h1-9,18-19,24,26H,10-14H2/t18-,19+/m0/s1
InChIKeyOEIQNXZHQHJYFW-RBUKOAKNSA-N
MW358.41 g/mol
LogP2.39
Rot. Bonds6

About 2-(4-fluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide

2-(4-fluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide (PubChem CID 18392012) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide
PubChem CID18392012
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-(4-fluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)N(O)[C@H](CN1CC[C@H](O)C1)c1ccccc1
InChIInChI=1S/C20H23FN2O3/c21-17-8-6-15(7-9-17)12-20(25)23(26)19(16-4-2-1-3-5-16)14-22-11-10-18(24)13-22/h1-9,18-19,24,26H,10-14H2/t18-,19+/m0/s1
InChIKeyOEIQNXZHQHJYFW-RBUKOAKNSA-N
XLogP2.39
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-fluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide (CID 18392012) is 2-(4-fluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide is O=C(Cc1ccc(F)cc1)N(O)[C@H](CN1CC[C@H](O)C1)c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide?
The InChIKey is OEIQNXZHQHJYFW-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-17-8-6-15(7-9-17)12-20(25)23(26)19(16-4-2-1-3-5-16)14-22-11-10-18(24)13-22/h1-9,18-19,24,26H,10-14H2/t18-,19+/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide?
2-(4-fluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide has a molecular weight of 358.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-hydroxy-N-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]acetamide is sourced from PubChem (CID 18392012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).