4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-phenylethyl)butanamide

C19H22FNO3 — CID 59568889

IUPAC4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-phenylethyl)butanamide
SMILESCOC(CC(CCc1ccccc1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3/c1-24-18(15-9-11-17(20)12-10-15)13-16(19(22)21-23)8-7-14-5-3-2-4-6-14/h2-6,9-12,16,18,23H,7-8,13H2,1H3,(H,21,22)
InChIKeySWYYEBCYRTUEAC-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.66
Rot. Bonds8

About 4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-phenylethyl)butanamide

4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-phenylethyl)butanamide (PubChem CID 59568889) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-phenylethyl)butanamide
PubChem CID59568889
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-phenylethyl)butanamide
SMILESCOC(CC(CCc1ccccc1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3/c1-24-18(15-9-11-17(20)12-10-15)13-16(19(22)21-23)8-7-14-5-3-2-4-6-14/h2-6,9-12,16,18,23H,7-8,13H2,1H3,(H,21,22)
InChIKeySWYYEBCYRTUEAC-UHFFFAOYSA-N
XLogP3.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.66
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 4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-phenylethyl)butanamide?
The IUPAC name of 4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-phenylethyl)butanamide (CID 59568889) is 4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-phenylethyl)butanamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-phenylethyl)butanamide is COC(CC(CCc1ccccc1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-phenylethyl)butanamide?
The InChIKey is SWYYEBCYRTUEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-24-18(15-9-11-17(20)12-10-15)13-16(19(22)21-23)8-7-14-5-3-2-4-6-14/h2-6,9-12,16,18,23H,7-8,13H2,1H3,(H,21,22).
What are the key properties of 4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-phenylethyl)butanamide?
4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-phenylethyl)butanamide has a molecular weight of 331.39 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-hydroxy-4-methoxy-2-(2-phenylethyl)butanamide is sourced from PubChem (CID 59568889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).