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

C22H28F2N4O3 — CID 52941619

IUPAC(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)carbamoylamino]-N-hydroxyhexanamide
SMILESCc1cc(NC(=O)NCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F
InChIInChI=1S/C22H28F2N4O3/c1-13-10-16(7-8-18(13)23)27-22(30)25-9-5-4-6-19(21(29)28-31)26-17-11-14(2)20(24)15(3)12-17/h7-8,10-12,19,26,31H,4-6,9H2,1-3H3,(H,28,29)(H2,25,27,30)/t19-/m1/s1
InChIKeyYSGOTQDWSQSGFJ-LJQANCHMSA-N
MW434.49 g/mol
LogP4.17
Rot. Bonds9

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

(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)carbamoylamino]-N-hydroxyhexanamide (PubChem CID 52941619) has the molecular formula C22H28F2N4O3 and a molecular weight of 434.49 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)carbamoylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)carbamoylamino]-N-hydroxyhexanamide
PubChem CID52941619
Molecular FormulaC22H28F2N4O3
Molecular Weight434.49 g/mol
Exact Mass434.21
IUPAC Name(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)carbamoylamino]-N-hydroxyhexanamide
SMILESCc1cc(NC(=O)NCCCC[C@@H](Nc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F
InChIInChI=1S/C22H28F2N4O3/c1-13-10-16(7-8-18(13)23)27-22(30)25-9-5-4-6-19(21(29)28-31)26-17-11-14(2)20(24)15(3)12-17/h7-8,10-12,19,26,31H,4-6,9H2,1-3H3,(H,28,29)(H2,25,27,30)/t19-/m1/s1
InChIKeyYSGOTQDWSQSGFJ-LJQANCHMSA-N
XLogP4.17
TPSA102.49 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.17
H-Bond Donors ≤ 55
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'}

Analyze (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)carbamoylamino]-N-hydroxyhexanamide with MolForge

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Launch Full Analysis

Related Compounds

(S)-N-(6-(hydroxyamino)-6-oxohexyl)-4-(3-(2-oxo-1-phenyl-2-((3-(trifluoromethyl)phenyl)amino)ethyl)ureido)benzamide (L8)
CID 72705683
(R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(4-fluorobenzylamino)-N-hydroxyhexanamide
CID 24871537
(r)-2-(4-Fluoro-3,5-dimethylphenylamino)-6-(4-fluoro-3-methylbenzylamino)-n-hydroxyhexanamide
CID 25007684
(R)-6-(4-fluoro-3-methylbenzylamino)-2-(4-fluoro-3-methylphenylamino)-N-hydroxyhexanamide
CID 25007687
(R)-2-(4-fluoro-3-methylphenylamino)-6-(4-fluorobenzylamino)-N-hydroxyhexanamide
CID 54582964
(R)-2-(4-fluoro-3,5-dimethylphenylamino)-N-hydroxy-6-(4-nitrobenzylamino)hexanamide
CID 52942165
(R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(3-fluorobenzylamino)-N-hydroxyhexanamide
CID 52945883
(R)-2-(4-fluoro-3,5-dimethylphenylamino)-N-hydroxy-6-(4-(trifluoromethyl)benzylamino)hexanamide
CID 52945891
(R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(2-fluorobenzylamino)-N-hydroxyhexanamide
CID 52945924
(R)-2-(4-fluoro-3,5-dimethylphenylamino)-N-hydroxy-6-(4-methylbenzylamino)hexanamide
CID 52945932
(R)-6-(4-chlorobenzylamino)-2-(4-fluoro-3,5-dimethylphenylamino)-N-hydroxyhexanamide
CID 52949570
(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide
CID 57345500

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)carbamoylamino]-N-hydroxyhexanamide?
The IUPAC name of (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)carbamoylamino]-N-hydroxyhexanamide (CID 52941619) is (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)carbamoylamino]-N-hydroxyhexanamide.
What is the SMILES notation for (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)carbamoylamino]-N-hydroxyhexanamide?
The canonical SMILES for (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)carbamoylamino]-N-hydroxyhexanamide is Cc1cc(NC(=O)NCCCC[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)carbamoylamino]-N-hydroxyhexanamide?
The InChIKey is YSGOTQDWSQSGFJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28F2N4O3/c1-13-10-16(7-8-18(13)23)27-22(30)25-9-5-4-6-19(21(29)28-31)26-17-11-14(2)20(24)15(3)12-17/h7-8,10-12,19,26,31H,4-6,9H2,1-3H3,(H,28,29)(H2,25,27,30)/t19-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)carbamoylamino]-N-hydroxyhexanamide?
(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[(4-fluoro-3-methylphenyl)carbamoylamino]-N-hydroxyhexanamide has a molecular weight of 434.49 g/mol, XLogP of 4.17, 9 rotatable bonds, 5 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)carbamoylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 52941619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).