(2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide

C18H20FNO3 — CID 59568836

IUPAC(2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
SMILESCO[C@H](C[C@H](Cc1ccccc1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO3/c1-23-17(14-7-9-16(19)10-8-14)12-15(18(21)20-22)11-13-5-3-2-4-6-13/h2-10,15,17,22H,11-12H2,1H3,(H,20,21)/t15-,17+/m0/s1
InChIKeyGZISLIABXJVPBH-DOTOQJQBSA-N
MW317.36 g/mol
LogP3.27
Rot. Bonds7

About (2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide

(2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide (PubChem CID 59568836) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is (2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide.

Molecular Properties

Compound Name(2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
PubChem CID59568836
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name(2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
SMILESCO[C@H](C[C@H](Cc1ccccc1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C18H20FNO3/c1-23-17(14-7-9-16(19)10-8-14)12-15(18(21)20-22)11-13-5-3-2-4-6-13/h2-10,15,17,22H,11-12H2,1H3,(H,20,21)/t15-,17+/m0/s1
InChIKeyGZISLIABXJVPBH-DOTOQJQBSA-N
XLogP3.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.27
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 (2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The IUPAC name of (2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide (CID 59568836) is (2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide.
What is the SMILES notation for (2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The canonical SMILES for (2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide is CO[C@H](C[C@H](Cc1ccccc1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The InChIKey is GZISLIABXJVPBH-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-23-17(14-7-9-16(19)10-8-14)12-15(18(21)20-22)11-13-5-3-2-4-6-13/h2-10,15,17,22H,11-12H2,1H3,(H,20,21)/t15-,17+/m0/s1.
What are the key properties of (2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
(2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide has a molecular weight of 317.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide is sourced from PubChem (CID 59568836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).