(E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpent-4-enamide

C20H22FNO3 — CID 59568885

IUPAC(E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpent-4-enamide
SMILESCO[C@H](C[C@H](C/C=C/c1ccccc1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO3/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/h2-8,10-13,17,19,24H,9,14H2,1H3,(H,22,23)/b8-5+/t17-,19+/m0/s1
InChIKeyCNRLXIHEOHADPA-MGFNVVHASA-N
MW343.40 g/mol
LogP4.13
Rot. Bonds8

About (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpent-4-enamide

(E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpent-4-enamide (PubChem CID 59568885) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpent-4-enamide.

Molecular Properties

Compound Name(E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpent-4-enamide
PubChem CID59568885
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name(E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpent-4-enamide
SMILESCO[C@H](C[C@H](C/C=C/c1ccccc1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO3/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/h2-8,10-13,17,19,24H,9,14H2,1H3,(H,22,23)/b8-5+/t17-,19+/m0/s1
InChIKeyCNRLXIHEOHADPA-MGFNVVHASA-N
XLogP4.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.13
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 (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpent-4-enamide?
The IUPAC name of (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpent-4-enamide (CID 59568885) is (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpent-4-enamide.
What is the SMILES notation for (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpent-4-enamide?
The canonical SMILES for (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpent-4-enamide is CO[C@H](C[C@H](C/C=C/c1ccccc1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpent-4-enamide?
The InChIKey is CNRLXIHEOHADPA-MGFNVVHASA-N. The full InChI is InChI=1S/C20H22FNO3/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/h2-8,10-13,17,19,24H,9,14H2,1H3,(H,22,23)/b8-5+/t17-,19+/m0/s1.
What are the key properties of (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpent-4-enamide?
(E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpent-4-enamide has a molecular weight of 343.40 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpent-4-enamide is sourced from PubChem (CID 59568885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).