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

C22H29F2N3O2 — CID 25007684

IUPAC(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide
SMILESCc1cc(CNCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F
InChIInChI=1S/C22H29F2N3O2/c1-14-10-17(7-8-19(14)23)13-25-9-5-4-6-20(22(28)27-29)26-18-11-15(2)21(24)16(3)12-18/h7-8,10-12,20,25-26,29H,4-6,9,13H2,1-3H3,(H,27,28)/t20-/m1/s1
InChIKeyWPDAJOIUWVKERO-HXUWFJFHSA-N
MW405.49 g/mol
LogP4.14
Rot. Bonds10

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

(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide (PubChem CID 25007684) has the molecular formula C22H29F2N3O2 and a molecular weight of 405.49 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide
PubChem CID25007684
Molecular FormulaC22H29F2N3O2
Molecular Weight405.49 g/mol
Exact Mass405.22
IUPAC Name(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide
SMILESCc1cc(CNCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F
InChIInChI=1S/C22H29F2N3O2/c1-14-10-17(7-8-19(14)23)13-25-9-5-4-6-20(22(28)27-29)26-18-11-15(2)21(24)16(3)12-18/h7-8,10-12,20,25-26,29H,4-6,9,13H2,1-3H3,(H,27,28)/t20-/m1/s1
InChIKeyWPDAJOIUWVKERO-HXUWFJFHSA-N
XLogP4.14
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 54.14
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-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide?
The IUPAC name of (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide (CID 25007684) is (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide.
What is the SMILES notation for (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide?
The canonical SMILES for (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide is Cc1cc(CNCCCC[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)methylamino]-N-hydroxyhexanamide?
The InChIKey is WPDAJOIUWVKERO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29F2N3O2/c1-14-10-17(7-8-19(14)23)13-25-9-5-4-6-20(22(28)27-29)26-18-11-15(2)21(24)16(3)12-18/h7-8,10-12,20,25-26,29H,4-6,9,13H2,1-3H3,(H,27,28)/t20-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide?
(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide has a molecular weight of 405.49 g/mol, XLogP of 4.14, 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-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 25007684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).