(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-phenylpentanamide

C19H22FNO3 — CID 122623232

IUPAC(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-phenylpentanamide
SMILESCCO[C@H](CC(=O)NO)[C@H](Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3/c1-2-24-18(13-19(22)21-23)17(12-14-6-4-3-5-7-14)15-8-10-16(20)11-9-15/h3-11,17-18,23H,2,12-13H2,1H3,(H,21,22)/t17-,18-/m1/s1
InChIKeyMUSBLFWNQGNNGE-QZTJIDSGSA-N
MW331.39 g/mol
LogP3.45
Rot. Bonds8

About (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-phenylpentanamide

(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-phenylpentanamide (PubChem CID 122623232) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-phenylpentanamide.

Molecular Properties

Compound Name(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-phenylpentanamide
PubChem CID122623232
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-phenylpentanamide
SMILESCCO[C@H](CC(=O)NO)[C@H](Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H22FNO3/c1-2-24-18(13-19(22)21-23)17(12-14-6-4-3-5-7-14)15-8-10-16(20)11-9-15/h3-11,17-18,23H,2,12-13H2,1H3,(H,21,22)/t17-,18-/m1/s1
InChIKeyMUSBLFWNQGNNGE-QZTJIDSGSA-N
XLogP3.45
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 ≤ 53.45
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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Related Compounds

(S)-2-(4-fluoro-3,5-dimethylbenzyl)-6-(4-fluoro-3-methylbenzyloxy)-N-hydroxyhexanamide
CID 54584001
(3S)-4-(2,5-difluorophenyl)-3-hydroxy-N-phenylmethoxybutanamide
CID 11484061
2-cyclohexyl-6-(2-fluorophenyl)-N,4-dihydroxyhexanamide
CID 22452338
2-cyclohexyl-6-(3-fluorophenyl)-N,4-dihydroxyhexanamide
CID 22452494
2-(4,4-difluorocyclohexyl)-6-(4-fluorophenyl)-N,4-dihydroxyhexanamide
CID 22452521
(S)-N-(benzyloxy)-3-hydroxy-4-(2,4,5-trifluorophenyl)butanamide
CID 49844691
2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
CID 59568779
(E,2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6,6-diphenylhex-4-enamide
CID 59568784
4-(4-fluorophenyl)-N-hydroxy-4-phenylmethoxybutanamide
CID 59568789
(2S,4R)-2-benzyl-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
CID 59568836
(2S)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide
CID 59568853
(2R)-2-[(2S)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-5-phenylpentanamide
CID 59568871

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-phenylpentanamide?
The IUPAC name of (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-phenylpentanamide (CID 122623232) is (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-phenylpentanamide.
What is the SMILES notation for (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-phenylpentanamide?
The canonical SMILES for (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-phenylpentanamide is CCO[C@H](CC(=O)NO)[C@H](Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-phenylpentanamide?
The InChIKey is MUSBLFWNQGNNGE-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-2-24-18(13-19(22)21-23)17(12-14-6-4-3-5-7-14)15-8-10-16(20)11-9-15/h3-11,17-18,23H,2,12-13H2,1H3,(H,21,22)/t17-,18-/m1/s1.
What are the key properties of (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-phenylpentanamide?
(3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-phenylpentanamide has a molecular weight of 331.39 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-ethoxy-4-(4-fluorophenyl)-N-hydroxy-5-phenylpentanamide is sourced from PubChem (CID 122623232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).