(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(2-fluorophenyl)methylamino]-N-hydroxyhexanamide

C21H27F2N3O2 — CID 52945924

IUPAC(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(2-fluorophenyl)methylamino]-N-hydroxyhexanamide
SMILESCc1cc(N[C@H](CCCCNCc2ccccc2F)C(=O)NO)cc(C)c1F
InChIInChI=1S/C21H27F2N3O2/c1-14-11-17(12-15(2)20(14)23)25-19(21(27)26-28)9-5-6-10-24-13-16-7-3-4-8-18(16)22/h3-4,7-8,11-12,19,24-25,28H,5-6,9-10,13H2,1-2H3,(H,26,27)/t19-/m1/s1
InChIKeyFNHPGQNSIIVICG-LJQANCHMSA-N
MW391.46 g/mol
LogP3.83
Rot. Bonds10

About (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(2-fluorophenyl)methylamino]-N-hydroxyhexanamide

(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(2-fluorophenyl)methylamino]-N-hydroxyhexanamide (PubChem CID 52945924) has the molecular formula C21H27F2N3O2 and a molecular weight of 391.46 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(2-fluorophenyl)methylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(2-fluorophenyl)methylamino]-N-hydroxyhexanamide
PubChem CID52945924
Molecular FormulaC21H27F2N3O2
Molecular Weight391.46 g/mol
Exact Mass391.21
IUPAC Name(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(2-fluorophenyl)methylamino]-N-hydroxyhexanamide
SMILESCc1cc(N[C@H](CCCCNCc2ccccc2F)C(=O)NO)cc(C)c1F
InChIInChI=1S/C21H27F2N3O2/c1-14-11-17(12-15(2)20(14)23)25-19(21(27)26-28)9-5-6-10-24-13-16-7-3-4-8-18(16)22/h3-4,7-8,11-12,19,24-25,28H,5-6,9-10,13H2,1-2H3,(H,26,27)/t19-/m1/s1
InChIKeyFNHPGQNSIIVICG-LJQANCHMSA-N
XLogP3.83
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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)-6-[(2-fluorophenyl)methylamino]-N-hydroxyhexanamide?
The IUPAC name of (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(2-fluorophenyl)methylamino]-N-hydroxyhexanamide (CID 52945924) is (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(2-fluorophenyl)methylamino]-N-hydroxyhexanamide.
What is the SMILES notation for (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(2-fluorophenyl)methylamino]-N-hydroxyhexanamide?
The canonical SMILES for (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(2-fluorophenyl)methylamino]-N-hydroxyhexanamide is Cc1cc(N[C@H](CCCCNCc2ccccc2F)C(=O)NO)cc(C)c1F.
What is the InChIKey of (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(2-fluorophenyl)methylamino]-N-hydroxyhexanamide?
The InChIKey is FNHPGQNSIIVICG-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27F2N3O2/c1-14-11-17(12-15(2)20(14)23)25-19(21(27)26-28)9-5-6-10-24-13-16-7-3-4-8-18(16)22/h3-4,7-8,11-12,19,24-25,28H,5-6,9-10,13H2,1-2H3,(H,26,27)/t19-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(2-fluorophenyl)methylamino]-N-hydroxyhexanamide?
(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(2-fluorophenyl)methylamino]-N-hydroxyhexanamide has a molecular weight of 391.46 g/mol, XLogP of 3.83, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(2-fluorophenyl)methylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 52945924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).