(2S)-2-[(4-fluoro-3-methylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide

C21H26F2N2O2 — CID 54582048

IUPAC(2S)-2-[(4-fluoro-3-methylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide
SMILESCc1cc(C[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)ccc1F
InChIInChI=1S/C21H26F2N2O2/c1-15-12-17(7-10-20(15)23)13-18(21(26)25-27)4-2-3-11-24-14-16-5-8-19(22)9-6-16/h5-10,12,18,24,27H,2-4,11,13-14H2,1H3,(H,25,26)/t18-/m0/s1
InChIKeyXYEXMBWQLZXAND-SFHVURJKSA-N
MW376.45 g/mol
LogP3.90
Rot. Bonds10

About (2S)-2-[(4-fluoro-3-methylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide

(2S)-2-[(4-fluoro-3-methylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide (PubChem CID 54582048) has the molecular formula C21H26F2N2O2 and a molecular weight of 376.45 g/mol. Its IUPAC name is (2S)-2-[(4-fluoro-3-methylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluoro-3-methylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide
PubChem CID54582048
Molecular FormulaC21H26F2N2O2
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name(2S)-2-[(4-fluoro-3-methylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide
SMILESCc1cc(C[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)ccc1F
InChIInChI=1S/C21H26F2N2O2/c1-15-12-17(7-10-20(15)23)13-18(21(26)25-27)4-2-3-11-24-14-16-5-8-19(22)9-6-16/h5-10,12,18,24,27H,2-4,11,13-14H2,1H3,(H,25,26)/t18-/m0/s1
InChIKeyXYEXMBWQLZXAND-SFHVURJKSA-N
XLogP3.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (2S)-2-[(4-fluoro-3-methylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluoro-3-methylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide?
The IUPAC name of (2S)-2-[(4-fluoro-3-methylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide (CID 54582048) is (2S)-2-[(4-fluoro-3-methylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide.
What is the SMILES notation for (2S)-2-[(4-fluoro-3-methylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide?
The canonical SMILES for (2S)-2-[(4-fluoro-3-methylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide is Cc1cc(C[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)ccc1F.
What is the InChIKey of (2S)-2-[(4-fluoro-3-methylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide?
The InChIKey is XYEXMBWQLZXAND-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26F2N2O2/c1-15-12-17(7-10-20(15)23)13-18(21(26)25-27)4-2-3-11-24-14-16-5-8-19(22)9-6-16/h5-10,12,18,24,27H,2-4,11,13-14H2,1H3,(H,25,26)/t18-/m0/s1.
What are the key properties of (2S)-2-[(4-fluoro-3-methylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide?
(2S)-2-[(4-fluoro-3-methylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide has a molecular weight of 376.45 g/mol, XLogP of 3.90, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluoro-3-methylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 54582048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).