(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide

C23H31F2N3O2 — CID 57345500

IUPAC(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide
SMILESCCC(NCCCC[C@@H](Nc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C23H31F2N3O2/c1-4-20(17-8-10-18(24)11-9-17)26-12-6-5-7-21(23(29)28-30)27-19-13-15(2)22(25)16(3)14-19/h8-11,13-14,20-21,26-27,30H,4-7,12H2,1-3H3,(H,28,29)/t20?,21-/m1/s1
InChIKeyQKBHUOCFQAXIBG-BPGUCPLFSA-N
MW419.52 g/mol
LogP4.78
Rot. Bonds11

About (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide

(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide (PubChem CID 57345500) has the molecular formula C23H31F2N3O2 and a molecular weight of 419.52 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide
PubChem CID57345500
Molecular FormulaC23H31F2N3O2
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Name(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide
SMILESCCC(NCCCC[C@@H](Nc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C23H31F2N3O2/c1-4-20(17-8-10-18(24)11-9-17)26-12-6-5-7-21(23(29)28-30)27-19-13-15(2)22(25)16(3)14-19/h8-11,13-14,20-21,26-27,30H,4-7,12H2,1-3H3,(H,28,29)/t20?,21-/m1/s1
InChIKeyQKBHUOCFQAXIBG-BPGUCPLFSA-N
XLogP4.78
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.78
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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Related Compounds

(S)-N8-Hydroxy-2-((R)-5-oxopyrrolidine-2-carboxamido)-N1-(3-(trifluoromethyl)phenyl)octanediamide
CID 72710871
(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)-6-(4-chlorobenzylamino)-2-(4-fluoro-3-methylphenylamino)-N-hydroxyhexanamide
CID 54582965
6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Phenylalaninamide
CID 445370
N-(Trifluoroacetyl)-L-Phenylalanyl-N-[4-(Trifluoromethyl)phenyl]-L-Alaninamide
CID 5497044
(2S)-N-{2-[(4-fluorophenyl)amino]ethyl}-4-methyl-2-[(3-methylphenyl)formamido]pentanamide
CID 23648348
N1-(biphenyl-3-yl)-N8-hydroxyoctanediamide
CID 44591267
(R)-N1-((S)-3,3-dimethyl-1-oxo-1-(phenylamino)butan-2-yl)-N4-hydroxy-2-(3-phenylpropyl)succinamide
CID 44368849
(R)-2-(4-fluoro-3,5-dimethylphenylamino)-N-hydroxy-6-(4-nitrobenzylamino)hexanamide
CID 52942165

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide?
The IUPAC name of (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide (CID 57345500) is (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide.
What is the SMILES notation for (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide?
The canonical SMILES for (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide is CCC(NCCCC[C@@H](Nc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide?
The InChIKey is QKBHUOCFQAXIBG-BPGUCPLFSA-N. The full InChI is InChI=1S/C23H31F2N3O2/c1-4-20(17-8-10-18(24)11-9-17)26-12-6-5-7-21(23(29)28-30)27-19-13-15(2)22(25)16(3)14-19/h8-11,13-14,20-21,26-27,30H,4-7,12H2,1-3H3,(H,28,29)/t20?,21-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide?
(2R)-2-(4-fluoro-3,5-dimethylanilino)-6-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide has a molecular weight of 419.52 g/mol, XLogP of 4.78, 11 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-[1-(4-fluorophenyl)propylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 57345500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).