(2S,4R)-2-[2-[3-(4-fluoro-3-methylphenyl)propyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide

C24H32F2N2O3 — CID 25134297

IUPAC(2S,4R)-2-[2-[3-(4-fluoro-3-methylphenyl)propyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
SMILESCO[C@H](CC(CCN(C)CCCc1ccc(F)c(C)c1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C24H32F2N2O3/c1-17-15-18(6-11-22(17)26)5-4-13-28(2)14-12-20(24(29)27-30)16-23(31-3)19-7-9-21(25)10-8-19/h6-11,15,20,23,30H,4-5,12-14,16H2,1-3H3,(H,27,29)/t20?,23-/m1/s1
InChIKeyVNXRIINFDPLDNI-GWQXNCQPSA-N
MW434.53 g/mol
LogP4.43
Rot. Bonds12

About (2S,4R)-2-[2-[3-(4-fluoro-3-methylphenyl)propyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide

(2S,4R)-2-[2-[3-(4-fluoro-3-methylphenyl)propyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide (PubChem CID 25134297) has the molecular formula C24H32F2N2O3 and a molecular weight of 434.53 g/mol. Its IUPAC name is (2S,4R)-2-[2-[3-(4-fluoro-3-methylphenyl)propyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide.

Molecular Properties

Compound Name(2S,4R)-2-[2-[3-(4-fluoro-3-methylphenyl)propyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
PubChem CID25134297
Molecular FormulaC24H32F2N2O3
Molecular Weight434.53 g/mol
Exact Mass434.24
IUPAC Name(2S,4R)-2-[2-[3-(4-fluoro-3-methylphenyl)propyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
SMILESCO[C@H](CC(CCN(C)CCCc1ccc(F)c(C)c1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C24H32F2N2O3/c1-17-15-18(6-11-22(17)26)5-4-13-28(2)14-12-20(24(29)27-30)16-23(31-3)19-7-9-21(25)10-8-19/h6-11,15,20,23,30H,4-5,12-14,16H2,1-3H3,(H,27,29)/t20?,23-/m1/s1
InChIKeyVNXRIINFDPLDNI-GWQXNCQPSA-N
XLogP4.43
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-6-[(4-Fluorobenzyl)amino]-2-[(2r)-2-(4-Fluorophenyl)-2-Methoxyethyl]-N-Hydroxyhexanamide
CID 54582019
(S)-2-((R)-2-(4-fluoro-3-methylphenyl)-2-methoxyethyl)-6-(4-fluorobenzylamino)-N-hydroxyhexanamide
CID 54582020
(2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide
CID 57345502
[(5S,7R)-7-(4-fluorophenyl)-5-(hydroxycarbamoyl)-7-methoxyheptyl]-[(4-fluorophenyl)methyl]azanium
CID 72200759
(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)-4-(4-Fluorophenyl)-n-hydroxy-4-methoxy-2-(2-morpholinoethyl)butanamide
CID 52944453
(2s,4r)-4-(4-Fluorophenyl)-n-hydroxy-2-(2-(3-(hydroxymethyl)piperidin-1-yl)ethyl)-4-methoxybutanamide
CID 52945702
(2s,4r)-4-(4-Fluorophenyl)-n-hydroxy-4-methoxy-2-(2-(4-phenethylpiperazin-1-yl)ethyl)butanamide
CID 52945720
(2s,4r)-2-(2-(Dimethylamino)ethyl)-4-(4-fluorophenyl)-n-hydroxy-4-methoxybutanamide
CID 52945792
(2s,4r)-2-(2-(4-Benzylpiperazin-1-yl)ethyl)-4-(4-fluorophenyl)-n-hydroxy-4-methoxybutanamide
CID 52946540
(2S,4R)-2-[2-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
CID 52946940

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-[2-[3-(4-fluoro-3-methylphenyl)propyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The IUPAC name of (2S,4R)-2-[2-[3-(4-fluoro-3-methylphenyl)propyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide (CID 25134297) is (2S,4R)-2-[2-[3-(4-fluoro-3-methylphenyl)propyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide.
What is the SMILES notation for (2S,4R)-2-[2-[3-(4-fluoro-3-methylphenyl)propyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The canonical SMILES for (2S,4R)-2-[2-[3-(4-fluoro-3-methylphenyl)propyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide is CO[C@H](CC(CCN(C)CCCc1ccc(F)c(C)c1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (2S,4R)-2-[2-[3-(4-fluoro-3-methylphenyl)propyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The InChIKey is VNXRIINFDPLDNI-GWQXNCQPSA-N. The full InChI is InChI=1S/C24H32F2N2O3/c1-17-15-18(6-11-22(17)26)5-4-13-28(2)14-12-20(24(29)27-30)16-23(31-3)19-7-9-21(25)10-8-19/h6-11,15,20,23,30H,4-5,12-14,16H2,1-3H3,(H,27,29)/t20?,23-/m1/s1.
What are the key properties of (2S,4R)-2-[2-[3-(4-fluoro-3-methylphenyl)propyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
(2S,4R)-2-[2-[3-(4-fluoro-3-methylphenyl)propyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide has a molecular weight of 434.53 g/mol, XLogP of 4.43, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[2-[3-(4-fluoro-3-methylphenyl)propyl-methylamino]ethyl]-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide is sourced from PubChem (CID 25134297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).