(2R)-2-(4-fluoro-3,5-dimethylanilino)-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide

C23H30F2N2O2 — CID 25007686

IUPAC(2R)-2-(4-fluoro-3,5-dimethylanilino)-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide
SMILESCc1cc(CCCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F
InChIInChI=1S/C23H30F2N2O2/c1-15-12-18(10-11-20(15)24)8-6-4-5-7-9-21(23(28)27-29)26-19-13-16(2)22(25)17(3)14-19/h10-14,21,26,29H,4-9H2,1-3H3,(H,27,28)/t21-/m1/s1
InChIKeyPQSAZAVRGIBQJC-OAQYLSRUSA-N
MW404.50 g/mol
LogP5.37
Rot. Bonds10

About (2R)-2-(4-fluoro-3,5-dimethylanilino)-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide

(2R)-2-(4-fluoro-3,5-dimethylanilino)-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide (PubChem CID 25007686) has the molecular formula C23H30F2N2O2 and a molecular weight of 404.50 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-3,5-dimethylanilino)-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-3,5-dimethylanilino)-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide
PubChem CID25007686
Molecular FormulaC23H30F2N2O2
Molecular Weight404.50 g/mol
Exact Mass404.23
IUPAC Name(2R)-2-(4-fluoro-3,5-dimethylanilino)-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide
SMILESCc1cc(CCCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F
InChIInChI=1S/C23H30F2N2O2/c1-15-12-18(10-11-20(15)24)8-6-4-5-7-9-21(23(28)27-29)26-19-13-16(2)22(25)17(3)14-19/h10-14,21,26,29H,4-9H2,1-3H3,(H,27,28)/t21-/m1/s1
InChIKeyPQSAZAVRGIBQJC-OAQYLSRUSA-N
XLogP5.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.50
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (2R)-2-(4-fluoro-3,5-dimethylanilino)-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide?
The IUPAC name of (2R)-2-(4-fluoro-3,5-dimethylanilino)-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide (CID 25007686) is (2R)-2-(4-fluoro-3,5-dimethylanilino)-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide.
What is the SMILES notation for (2R)-2-(4-fluoro-3,5-dimethylanilino)-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide?
The canonical SMILES for (2R)-2-(4-fluoro-3,5-dimethylanilino)-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide is Cc1cc(CCCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F.
What is the InChIKey of (2R)-2-(4-fluoro-3,5-dimethylanilino)-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide?
The InChIKey is PQSAZAVRGIBQJC-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30F2N2O2/c1-15-12-18(10-11-20(15)24)8-6-4-5-7-9-21(23(28)27-29)26-19-13-16(2)22(25)17(3)14-19/h10-14,21,26,29H,4-9H2,1-3H3,(H,27,28)/t21-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-3,5-dimethylanilino)-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide?
(2R)-2-(4-fluoro-3,5-dimethylanilino)-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide has a molecular weight of 404.50 g/mol, XLogP of 5.37, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoro-3,5-dimethylanilino)-8-(4-fluoro-3-methylphenyl)-N-hydroxyoctanamide is sourced from PubChem (CID 25007686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).