(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-pyrrolidin-1-ylethyl)butanamide

C17H25FN2O3 — CID 52940940

IUPAC(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-pyrrolidin-1-ylethyl)butanamide
SMILESCO[C@H](C[C@H](CCN1CCCC1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O3/c1-23-16(13-4-6-15(18)7-5-13)12-14(17(21)19-22)8-11-20-9-2-3-10-20/h4-7,14,16,22H,2-3,8-12H2,1H3,(H,19,21)/t14-,16+/m0/s1
InChIKeyJLKDMLRJHDWPLO-GOEBONIOSA-N
MW324.40 g/mol
LogP2.51
Rot. Bonds8

About (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-pyrrolidin-1-ylethyl)butanamide

(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-pyrrolidin-1-ylethyl)butanamide (PubChem CID 52940940) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-pyrrolidin-1-ylethyl)butanamide.

Molecular Properties

Compound Name(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-pyrrolidin-1-ylethyl)butanamide
PubChem CID52940940
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC Name(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-pyrrolidin-1-ylethyl)butanamide
SMILESCO[C@H](C[C@H](CCN1CCCC1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O3/c1-23-16(13-4-6-15(18)7-5-13)12-14(17(21)19-22)8-11-20-9-2-3-10-20/h4-7,14,16,22H,2-3,8-12H2,1H3,(H,19,21)/t14-,16+/m0/s1
InChIKeyJLKDMLRJHDWPLO-GOEBONIOSA-N
XLogP2.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.51
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-pyrrolidin-1-ylethyl)butanamide?
The IUPAC name of (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-pyrrolidin-1-ylethyl)butanamide (CID 52940940) is (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-pyrrolidin-1-ylethyl)butanamide.
What is the SMILES notation for (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-pyrrolidin-1-ylethyl)butanamide?
The canonical SMILES for (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-pyrrolidin-1-ylethyl)butanamide is CO[C@H](C[C@H](CCN1CCCC1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-pyrrolidin-1-ylethyl)butanamide?
The InChIKey is JLKDMLRJHDWPLO-GOEBONIOSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-23-16(13-4-6-15(18)7-5-13)12-14(17(21)19-22)8-11-20-9-2-3-10-20/h4-7,14,16,22H,2-3,8-12H2,1H3,(H,19,21)/t14-,16+/m0/s1.
What are the key properties of (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-pyrrolidin-1-ylethyl)butanamide?
(2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-pyrrolidin-1-ylethyl)butanamide has a molecular weight of 324.40 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-pyrrolidin-1-ylethyl)butanamide is sourced from PubChem (CID 52940940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).