(2R)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-N-hydroxypentanamide

C15H22FNO3 — CID 59568778

IUPAC(2R)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-N-hydroxypentanamide
SMILESCCC[C@H](C[C@@H](OC)c1ccc(F)c(C)c1)C(=O)NO
InChIInChI=1S/C15H22FNO3/c1-4-5-12(15(18)17-19)9-14(20-3)11-6-7-13(16)10(2)8-11/h6-8,12,14,19H,4-5,9H2,1-3H3,(H,17,18)/t12-,14-/m1/s1
InChIKeyIESZHELKCNZHOT-TZMCWYRMSA-N
MW283.34 g/mol
LogP3.13
Rot. Bonds7

About (2R)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-N-hydroxypentanamide

(2R)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-N-hydroxypentanamide (PubChem CID 59568778) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is (2R)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-N-hydroxypentanamide.

Molecular Properties

Compound Name(2R)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-N-hydroxypentanamide
PubChem CID59568778
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Name(2R)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-N-hydroxypentanamide
SMILESCCC[C@H](C[C@@H](OC)c1ccc(F)c(C)c1)C(=O)NO
InChIInChI=1S/C15H22FNO3/c1-4-5-12(15(18)17-19)9-14(20-3)11-6-7-13(16)10(2)8-11/h6-8,12,14,19H,4-5,9H2,1-3H3,(H,17,18)/t12-,14-/m1/s1
InChIKeyIESZHELKCNZHOT-TZMCWYRMSA-N
XLogP3.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.13
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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Related Compounds

(2s,4r)-2-(2-{[3-(4-Fluoro-3-Methylphenyl)propyl](Methyl)amino}ethyl)-4-(4-Fluorophenyl)-N-Hydroxy-4-Methoxybutanamide
CID 25134297
(S)-6-(4-fluorophenethylamino)-2-((R)-2-(4-fluorophenyl)-2-methoxyethyl)-N-hydroxyhexanamide
CID 25164605
(2s,4r)-4-(4-Fluorophenyl)-n-hydroxy-4-methoxy-2-(2-(pyrrolidin-1-yl)ethyl)butanamide
CID 52940940
(2s,4r)-2-(2-(Dimethylamino)ethyl)-4-(4-fluorophenyl)-n-hydroxy-4-methoxybutanamide
CID 52945792
(2s,4r)-4-(4-Fluorophenyl)-n-hydroxy-4-methoxy-2-(2-(piperidin-1-yl)ethyl)butanamide
CID 52947005
(2s,4r)-4-(4-Fluorophenyl)-n-hydroxy-4-methoxy-2-(2-(methyl(3-phenylpropyl)amino)ethyl)butanamide
CID 52948143
(S)-2-(4-fluoro-3,5-dimethylbenzyl)-6-(4-fluoro-3-methylbenzyloxy)-N-hydroxyhexanamide
CID 54584001
(S)-7-(4-fluorophenethylamino)-2-((R)-2-(4-fluorophenyl)-2-methoxyethyl)-N-hydroxyheptanamide
CID 54584002
(4R,5E)-N-hydroxy-4-phenylmethoxyocta-5,7-dienamide
CID 11118838
[(S)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl] 4-carbamoylcyclohexane-1-carboxylate
CID 97790872
2-Fluoro-5-[2-hydroxy-4-[3-(2-hydroxypropan-2-yl)phenyl]butyl]-2-methylhexanediamide
CID 22452417
4-(3-fluorophenyl)-N-hydroxy-4-methoxybutanamide
CID 59568769

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-N-hydroxypentanamide?
The IUPAC name of (2R)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-N-hydroxypentanamide (CID 59568778) is (2R)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-N-hydroxypentanamide.
What is the SMILES notation for (2R)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-N-hydroxypentanamide?
The canonical SMILES for (2R)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-N-hydroxypentanamide is CCC[C@H](C[C@@H](OC)c1ccc(F)c(C)c1)C(=O)NO.
What is the InChIKey of (2R)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-N-hydroxypentanamide?
The InChIKey is IESZHELKCNZHOT-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-4-5-12(15(18)17-19)9-14(20-3)11-6-7-13(16)10(2)8-11/h6-8,12,14,19H,4-5,9H2,1-3H3,(H,17,18)/t12-,14-/m1/s1.
What are the key properties of (2R)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-N-hydroxypentanamide?
(2R)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-N-hydroxypentanamide has a molecular weight of 283.34 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl]-N-hydroxypentanamide is sourced from PubChem (CID 59568778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).