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

C21H27F2N3O2 — CID 25007687

IUPAC(2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide
SMILESCc1cc(CNCCCC[C@@H](Nc2ccc(F)c(C)c2)C(=O)NO)ccc1F
InChIInChI=1S/C21H27F2N3O2/c1-14-11-16(6-8-18(14)22)13-24-10-4-3-5-20(21(27)26-28)25-17-7-9-19(23)15(2)12-17/h6-9,11-12,20,24-25,28H,3-5,10,13H2,1-2H3,(H,26,27)/t20-/m1/s1
InChIKeyZWTZPMCZDWOSRT-HXUWFJFHSA-N
MW391.46 g/mol
LogP3.83
Rot. Bonds10

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

(2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide (PubChem CID 25007687) has the molecular formula C21H27F2N3O2 and a molecular weight of 391.46 g/mol. Its IUPAC name is (2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide
PubChem CID25007687
Molecular FormulaC21H27F2N3O2
Molecular Weight391.46 g/mol
Exact Mass391.21
IUPAC Name(2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide
SMILESCc1cc(CNCCCC[C@@H](Nc2ccc(F)c(C)c2)C(=O)NO)ccc1F
InChIInChI=1S/C21H27F2N3O2/c1-14-11-16(6-8-18(14)22)13-24-10-4-3-5-20(21(27)26-28)25-17-7-9-19(23)15(2)12-17/h6-9,11-12,20,24-25,28H,3-5,10,13H2,1-2H3,(H,26,27)/t20-/m1/s1
InChIKeyZWTZPMCZDWOSRT-HXUWFJFHSA-N
XLogP3.83
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.83
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-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide?
The IUPAC name of (2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide (CID 25007687) is (2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide.
What is the SMILES notation for (2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide?
The canonical SMILES for (2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide is Cc1cc(CNCCCC[C@@H](Nc2ccc(F)c(C)c2)C(=O)NO)ccc1F.
What is the InChIKey of (2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide?
The InChIKey is ZWTZPMCZDWOSRT-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27F2N3O2/c1-14-11-16(6-8-18(14)22)13-24-10-4-3-5-20(21(27)26-28)25-17-7-9-19(23)15(2)12-17/h6-9,11-12,20,24-25,28H,3-5,10,13H2,1-2H3,(H,26,27)/t20-/m1/s1.
What are the key properties of (2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide?
(2R)-2-(4-fluoro-3-methylanilino)-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide has a molecular weight of 391.46 g/mol, XLogP of 3.83, 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-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 25007687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).