(2R)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxy-6-[(4-methylphenyl)methylamino]hexanamide

C22H30FN3O2 — CID 52945932

IUPAC(2R)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxy-6-[(4-methylphenyl)methylamino]hexanamide
SMILESCc1ccc(CNCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)cc1
InChIInChI=1S/C22H30FN3O2/c1-15-7-9-18(10-8-15)14-24-11-5-4-6-20(22(27)26-28)25-19-12-16(2)21(23)17(3)13-19/h7-10,12-13,20,24-25,28H,4-6,11,14H2,1-3H3,(H,26,27)/t20-/m1/s1
InChIKeyWXSSZKMYHPTKFZ-HXUWFJFHSA-N
MW387.50 g/mol
LogP4.00
Rot. Bonds10

About (2R)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxy-6-[(4-methylphenyl)methylamino]hexanamide

(2R)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxy-6-[(4-methylphenyl)methylamino]hexanamide (PubChem CID 52945932) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxy-6-[(4-methylphenyl)methylamino]hexanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxy-6-[(4-methylphenyl)methylamino]hexanamide
PubChem CID52945932
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC Name(2R)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxy-6-[(4-methylphenyl)methylamino]hexanamide
SMILESCc1ccc(CNCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)cc1
InChIInChI=1S/C22H30FN3O2/c1-15-7-9-18(10-8-15)14-24-11-5-4-6-20(22(27)26-28)25-19-12-16(2)21(23)17(3)13-19/h7-10,12-13,20,24-25,28H,4-6,11,14H2,1-3H3,(H,26,27)/t20-/m1/s1
InChIKeyWXSSZKMYHPTKFZ-HXUWFJFHSA-N
XLogP4.00
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.00
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)-N-hydroxy-6-[(4-methylphenyl)methylamino]hexanamide?
The IUPAC name of (2R)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxy-6-[(4-methylphenyl)methylamino]hexanamide (CID 52945932) is (2R)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxy-6-[(4-methylphenyl)methylamino]hexanamide.
What is the SMILES notation for (2R)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxy-6-[(4-methylphenyl)methylamino]hexanamide?
The canonical SMILES for (2R)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxy-6-[(4-methylphenyl)methylamino]hexanamide is Cc1ccc(CNCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)cc1.
What is the InChIKey of (2R)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxy-6-[(4-methylphenyl)methylamino]hexanamide?
The InChIKey is WXSSZKMYHPTKFZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30FN3O2/c1-15-7-9-18(10-8-15)14-24-11-5-4-6-20(22(27)26-28)25-19-12-16(2)21(23)17(3)13-19/h7-10,12-13,20,24-25,28H,4-6,11,14H2,1-3H3,(H,26,27)/t20-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxy-6-[(4-methylphenyl)methylamino]hexanamide?
(2R)-2-(4-fluoro-3,5-dimethylanilino)-N-hydroxy-6-[(4-methylphenyl)methylamino]hexanamide has a molecular weight of 387.50 g/mol, XLogP of 4.00, 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)-N-hydroxy-6-[(4-methylphenyl)methylamino]hexanamide is sourced from PubChem (CID 52945932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).