(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide

C22H28F2N2O2 — CID 24871655

IUPAC(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide
SMILESCc1cc(C[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)cc(C)c1F
InChIInChI=1S/C22H28F2N2O2/c1-15-11-18(12-16(2)21(15)24)13-19(22(27)26-28)5-3-4-10-25-14-17-6-8-20(23)9-7-17/h6-9,11-12,19,25,28H,3-5,10,13-14H2,1-2H3,(H,26,27)/t19-/m0/s1
InChIKeyPVPXSRWESCVIBD-IBGZPJMESA-N
MW390.47 g/mol
LogP4.21
Rot. Bonds10

About (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide

(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide (PubChem CID 24871655) has the molecular formula C22H28F2N2O2 and a molecular weight of 390.47 g/mol. Its IUPAC name is (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide
PubChem CID24871655
Molecular FormulaC22H28F2N2O2
Molecular Weight390.47 g/mol
Exact Mass390.21
IUPAC Name(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide
SMILESCc1cc(C[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)cc(C)c1F
InChIInChI=1S/C22H28F2N2O2/c1-15-11-18(12-16(2)21(15)24)13-19(22(27)26-28)5-3-4-10-25-14-17-6-8-20(23)9-7-17/h6-9,11-12,19,25,28H,3-5,10,13-14H2,1-2H3,(H,26,27)/t19-/m0/s1
InChIKeyPVPXSRWESCVIBD-IBGZPJMESA-N
XLogP4.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.21
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-3,5-dimethylphenyl)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-3,5-dimethylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide?
The IUPAC name of (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide (CID 24871655) is (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide.
What is the SMILES notation for (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide?
The canonical SMILES for (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide is Cc1cc(C[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)cc(C)c1F.
What is the InChIKey of (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide?
The InChIKey is PVPXSRWESCVIBD-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28F2N2O2/c1-15-11-18(12-16(2)21(15)24)13-19(22(27)26-28)5-3-4-10-25-14-17-6-8-20(23)9-7-17/h6-9,11-12,19,25,28H,3-5,10,13-14H2,1-2H3,(H,26,27)/t19-/m0/s1.
What are the key properties of (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide?
(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide has a molecular weight of 390.47 g/mol, XLogP of 4.21, 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-3,5-dimethylphenyl)methyl]-6-[(4-fluorophenyl)methylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 24871655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).