(2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide

C20H24FNO3 — CID 59568871

IUPAC(2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide
SMILESCO[C@@H](C[C@@H](CCCc1ccccc1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO3/c1-25-19(16-10-12-18(21)13-11-16)14-17(20(23)22-24)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13,17,19,24H,5,8-9,14H2,1H3,(H,22,23)/t17-,19+/m1/s1
InChIKeyPAADZJSCCOBUTA-MJGOQNOKSA-N
MW345.41 g/mol
LogP4.05
Rot. Bonds9

About (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide

(2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide (PubChem CID 59568871) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide
PubChem CID59568871
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name(2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide
SMILESCO[C@@H](C[C@@H](CCCc1ccccc1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C20H24FNO3/c1-25-19(16-10-12-18(21)13-11-16)14-17(20(23)22-24)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13,17,19,24H,5,8-9,14H2,1H3,(H,22,23)/t17-,19+/m1/s1
InChIKeyPAADZJSCCOBUTA-MJGOQNOKSA-N
XLogP4.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide?
The IUPAC name of (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide (CID 59568871) is (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide.
What is the SMILES notation for (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide?
The canonical SMILES for (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide is CO[C@@H](C[C@@H](CCCc1ccccc1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide?
The InChIKey is PAADZJSCCOBUTA-MJGOQNOKSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-25-19(16-10-12-18(21)13-11-16)14-17(20(23)22-24)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-13,17,19,24H,5,8-9,14H2,1H3,(H,22,23)/t17-,19+/m1/s1.
What are the key properties of (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide?
(2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide has a molecular weight of 345.41 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide is sourced from PubChem (CID 59568871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).