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

C20H25F2N3O2 — CID 54582964

IUPAC(2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide
SMILESCc1cc(N[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)ccc1F
InChIInChI=1S/C20H25F2N3O2/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
InChIKeyBUTSRFXRTUDGLB-LJQANCHMSA-N
MW377.44 g/mol
LogP3.52
Rot. Bonds10

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

(2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide (PubChem CID 54582964) has the molecular formula C20H25F2N3O2 and a molecular weight of 377.44 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide
PubChem CID54582964
Molecular FormulaC20H25F2N3O2
Molecular Weight377.44 g/mol
Exact Mass377.19
IUPAC Name(2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide
SMILESCc1cc(N[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)ccc1F
InChIInChI=1S/C20H25F2N3O2/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
InChIKeyBUTSRFXRTUDGLB-LJQANCHMSA-N
XLogP3.52
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.52
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-methylanilino)-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide?
The IUPAC name of (2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide (CID 54582964) is (2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide.
What is the SMILES notation for (2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide?
The canonical SMILES for (2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide is Cc1cc(N[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)ccc1F.
What is the InChIKey of (2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide?
The InChIKey is BUTSRFXRTUDGLB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25F2N3O2/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)-2-(4-fluoro-3-methylanilino)-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide?
(2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide has a molecular weight of 377.44 g/mol, XLogP of 3.52, 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-methylanilino)-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 54582964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).