(2R)-6-[(4-chlorophenyl)methylamino]-2-(4-fluoro-3-methylanilino)-N-hydroxyhexanamide

C20H25ClFN3O2 — CID 54582965

IUPAC(2R)-6-[(4-chlorophenyl)methylamino]-2-(4-fluoro-3-methylanilino)-N-hydroxyhexanamide
SMILESCc1cc(N[C@H](CCCCNCc2ccc(Cl)cc2)C(=O)NO)ccc1F
InChIInChI=1S/C20H25ClFN3O2/c1-14-12-17(9-10-18(14)22)24-19(20(26)25-27)4-2-3-11-23-13-15-5-7-16(21)8-6-15/h5-10,12,19,23-24,27H,2-4,11,13H2,1H3,(H,25,26)/t19-/m1/s1
InChIKeyDGCPFYXHIKMEMC-LJQANCHMSA-N
MW393.89 g/mol
LogP4.03
Rot. Bonds10

About (2R)-6-[(4-chlorophenyl)methylamino]-2-(4-fluoro-3-methylanilino)-N-hydroxyhexanamide

(2R)-6-[(4-chlorophenyl)methylamino]-2-(4-fluoro-3-methylanilino)-N-hydroxyhexanamide (PubChem CID 54582965) has the molecular formula C20H25ClFN3O2 and a molecular weight of 393.89 g/mol. Its IUPAC name is (2R)-6-[(4-chlorophenyl)methylamino]-2-(4-fluoro-3-methylanilino)-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2R)-6-[(4-chlorophenyl)methylamino]-2-(4-fluoro-3-methylanilino)-N-hydroxyhexanamide
PubChem CID54582965
Molecular FormulaC20H25ClFN3O2
Molecular Weight393.89 g/mol
Exact Mass393.16
IUPAC Name(2R)-6-[(4-chlorophenyl)methylamino]-2-(4-fluoro-3-methylanilino)-N-hydroxyhexanamide
SMILESCc1cc(N[C@H](CCCCNCc2ccc(Cl)cc2)C(=O)NO)ccc1F
InChIInChI=1S/C20H25ClFN3O2/c1-14-12-17(9-10-18(14)22)24-19(20(26)25-27)4-2-3-11-23-13-15-5-7-16(21)8-6-15/h5-10,12,19,23-24,27H,2-4,11,13H2,1H3,(H,25,26)/t19-/m1/s1
InChIKeyDGCPFYXHIKMEMC-LJQANCHMSA-N
XLogP4.03
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 54.03
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

(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
(2S)-2-{[(2-chlorophenyl)methyl][(4-fluorophenyl)carbamoyl]amino}-N-hydroxypropanamide
CID 23645834
2-{[(2-chlorophenyl)methyl][(2,4-difluorophenyl)carbamoyl]amino}-N-hydroxypropanamide
CID 23645837
(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)-6-[(4-chlorophenyl)methylamino]-2-(4-fluoro-3-methylanilino)-N-hydroxyhexanamide?
The IUPAC name of (2R)-6-[(4-chlorophenyl)methylamino]-2-(4-fluoro-3-methylanilino)-N-hydroxyhexanamide (CID 54582965) is (2R)-6-[(4-chlorophenyl)methylamino]-2-(4-fluoro-3-methylanilino)-N-hydroxyhexanamide.
What is the SMILES notation for (2R)-6-[(4-chlorophenyl)methylamino]-2-(4-fluoro-3-methylanilino)-N-hydroxyhexanamide?
The canonical SMILES for (2R)-6-[(4-chlorophenyl)methylamino]-2-(4-fluoro-3-methylanilino)-N-hydroxyhexanamide is Cc1cc(N[C@H](CCCCNCc2ccc(Cl)cc2)C(=O)NO)ccc1F.
What is the InChIKey of (2R)-6-[(4-chlorophenyl)methylamino]-2-(4-fluoro-3-methylanilino)-N-hydroxyhexanamide?
The InChIKey is DGCPFYXHIKMEMC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25ClFN3O2/c1-14-12-17(9-10-18(14)22)24-19(20(26)25-27)4-2-3-11-23-13-15-5-7-16(21)8-6-15/h5-10,12,19,23-24,27H,2-4,11,13H2,1H3,(H,25,26)/t19-/m1/s1.
What are the key properties of (2R)-6-[(4-chlorophenyl)methylamino]-2-(4-fluoro-3-methylanilino)-N-hydroxyhexanamide?
(2R)-6-[(4-chlorophenyl)methylamino]-2-(4-fluoro-3-methylanilino)-N-hydroxyhexanamide has a molecular weight of 393.89 g/mol, XLogP of 4.03, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[(4-chlorophenyl)methylamino]-2-(4-fluoro-3-methylanilino)-N-hydroxyhexanamide is sourced from PubChem (CID 54582965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).