(2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide

C15H22FNO3 — CID 59568831

IUPAC(2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide
SMILESCCCC[C@H](C[C@H](OC)c1ccc(F)cc1)C(=O)NO
InChIInChI=1S/C15H22FNO3/c1-3-4-5-12(15(18)17-19)10-14(20-2)11-6-8-13(16)9-7-11/h6-9,12,14,19H,3-5,10H2,1-2H3,(H,17,18)/t12-,14+/m1/s1
InChIKeyXAAQEQBEPKRBKQ-OCCSQVGLSA-N
MW283.34 g/mol
LogP3.22
Rot. Bonds8

About (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide

(2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide (PubChem CID 59568831) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide
PubChem CID59568831
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name(2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide
SMILESCCCC[C@H](C[C@H](OC)c1ccc(F)cc1)C(=O)NO
InChIInChI=1S/C15H22FNO3/c1-3-4-5-12(15(18)17-19)10-14(20-2)11-6-8-13(16)9-7-11/h6-9,12,14,19H,3-5,10H2,1-2H3,(H,17,18)/t12-,14+/m1/s1
InChIKeyXAAQEQBEPKRBKQ-OCCSQVGLSA-N
XLogP3.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.22
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-hydroxyhexanamide?
The IUPAC name of (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide (CID 59568831) is (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide.
What is the SMILES notation for (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide?
The canonical SMILES for (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide is CCCC[C@H](C[C@H](OC)c1ccc(F)cc1)C(=O)NO.
What is the InChIKey of (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide?
The InChIKey is XAAQEQBEPKRBKQ-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-3-4-5-12(15(18)17-19)10-14(20-2)11-6-8-13(16)9-7-11/h6-9,12,14,19H,3-5,10H2,1-2H3,(H,17,18)/t12-,14+/m1/s1.
What are the key properties of (2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide?
(2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyhexanamide has a molecular weight of 283.34 g/mol, XLogP of 3.22, 8 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-hydroxyhexanamide is sourced from PubChem (CID 59568831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).