(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide

C24H31F2NO2 — CID 54585907

IUPAC(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide
SMILESCc1cc(CCCCCC[C@@H](Cc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F
InChIInChI=1S/C24H31F2NO2/c1-16-12-19(10-11-22(16)25)8-6-4-5-7-9-21(24(28)27-29)15-20-13-17(2)23(26)18(3)14-20/h10-14,21,29H,4-9,15H2,1-3H3,(H,27,28)/t21-/m0/s1
InChIKeyHUCAOUNSINXJDB-NRFANRHFSA-N
MW403.51 g/mol
LogP5.75
Rot. Bonds10

About (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide

(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide (PubChem CID 54585907) has the molecular formula C24H31F2NO2 and a molecular weight of 403.51 g/mol. Its IUPAC name is (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide
PubChem CID54585907
Molecular FormulaC24H31F2NO2
Molecular Weight403.51 g/mol
Exact Mass403.23
IUPAC Name(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide
SMILESCc1cc(CCCCCC[C@@H](Cc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F
InChIInChI=1S/C24H31F2NO2/c1-16-12-19(10-11-22(16)25)8-6-4-5-7-9-21(24(28)27-29)15-20-13-17(2)23(26)18(3)14-20/h10-14,21,29H,4-9,15H2,1-3H3,(H,27,28)/t21-/m0/s1
InChIKeyHUCAOUNSINXJDB-NRFANRHFSA-N
XLogP5.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide?
The IUPAC name of (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide (CID 54585907) is (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide.
What is the SMILES notation for (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide?
The canonical SMILES for (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide is Cc1cc(CCCCCC[C@@H](Cc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F.
What is the InChIKey of (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide?
The InChIKey is HUCAOUNSINXJDB-NRFANRHFSA-N. The full InChI is InChI=1S/C24H31F2NO2/c1-16-12-19(10-11-22(16)25)8-6-4-5-7-9-21(24(28)27-29)15-20-13-17(2)23(26)18(3)14-20/h10-14,21,29H,4-9,15H2,1-3H3,(H,27,28)/t21-/m0/s1.
What are the key properties of (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide?
(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide has a molecular weight of 403.51 g/mol, XLogP of 5.75, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide is sourced from PubChem (CID 54585907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).