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

C22H28F2N2O3 — CID 25007685

IUPAC(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methoxy]-N-hydroxyhexanamide
SMILESCc1cc(COCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F
InChIInChI=1S/C22H28F2N2O3/c1-14-10-17(7-8-19(14)23)13-29-9-5-4-6-20(22(27)26-28)25-18-11-15(2)21(24)16(3)12-18/h7-8,10-12,20,25,28H,4-6,9,13H2,1-3H3,(H,26,27)/t20-/m1/s1
InChIKeyGQWGJMZFMMABCN-HXUWFJFHSA-N
MW406.47 g/mol
LogP4.56
Rot. Bonds10

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

(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methoxy]-N-hydroxyhexanamide (PubChem CID 25007685) has the molecular formula C22H28F2N2O3 and a molecular weight of 406.47 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methoxy]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methoxy]-N-hydroxyhexanamide
PubChem CID25007685
Molecular FormulaC22H28F2N2O3
Molecular Weight406.47 g/mol
Exact Mass406.21
IUPAC Name(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methoxy]-N-hydroxyhexanamide
SMILESCc1cc(COCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F
InChIInChI=1S/C22H28F2N2O3/c1-14-10-17(7-8-19(14)23)13-29-9-5-4-6-20(22(27)26-28)25-18-11-15(2)21(24)16(3)12-18/h7-8,10-12,20,25,28H,4-6,9,13H2,1-3H3,(H,26,27)/t20-/m1/s1
InChIKeyGQWGJMZFMMABCN-HXUWFJFHSA-N
XLogP4.56
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.56
H-Bond Donors ≤ 53
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-[(4-fluoro-3-methylphenyl)methoxy]-N-hydroxyhexanamide?
The IUPAC name of (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methoxy]-N-hydroxyhexanamide (CID 25007685) is (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methoxy]-N-hydroxyhexanamide.
What is the SMILES notation for (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methoxy]-N-hydroxyhexanamide?
The canonical SMILES for (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methoxy]-N-hydroxyhexanamide is Cc1cc(COCCCC[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)-6-[(4-fluoro-3-methylphenyl)methoxy]-N-hydroxyhexanamide?
The InChIKey is GQWGJMZFMMABCN-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28F2N2O3/c1-14-10-17(7-8-19(14)23)13-29-9-5-4-6-20(22(27)26-28)25-18-11-15(2)21(24)16(3)12-18/h7-8,10-12,20,25,28H,4-6,9,13H2,1-3H3,(H,26,27)/t20-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methoxy]-N-hydroxyhexanamide?
(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methoxy]-N-hydroxyhexanamide has a molecular weight of 406.47 g/mol, XLogP of 4.56, 10 rotatable bonds, 3 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-[(4-fluoro-3-methylphenyl)methoxy]-N-hydroxyhexanamide is sourced from PubChem (CID 25007685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).