(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[[(1R)-1-(4-fluorophenyl)propyl]amino]-N-hydroxyhexanamide

C24H32F2N2O2 — CID 70691618

IUPAC(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[[(1R)-1-(4-fluorophenyl)propyl]amino]-N-hydroxyhexanamide
SMILESCC[C@@H](NCCCC[C@@H](Cc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C24H32F2N2O2/c1-4-22(19-8-10-21(25)11-9-19)27-12-6-5-7-20(24(29)28-30)15-18-13-16(2)23(26)17(3)14-18/h8-11,13-14,20,22,27,30H,4-7,12,15H2,1-3H3,(H,28,29)/t20-,22+/m0/s1
InChIKeyRKZDOJQKLCPUQZ-RBBKRZOGSA-N
MW418.53 g/mol
LogP5.16
Rot. Bonds11

About (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[[(1R)-1-(4-fluorophenyl)propyl]amino]-N-hydroxyhexanamide

(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[[(1R)-1-(4-fluorophenyl)propyl]amino]-N-hydroxyhexanamide (PubChem CID 70691618) has the molecular formula C24H32F2N2O2 and a molecular weight of 418.53 g/mol. Its IUPAC name is (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[[(1R)-1-(4-fluorophenyl)propyl]amino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[[(1R)-1-(4-fluorophenyl)propyl]amino]-N-hydroxyhexanamide
PubChem CID70691618
Molecular FormulaC24H32F2N2O2
Molecular Weight418.53 g/mol
Exact Mass418.24
IUPAC Name(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[[(1R)-1-(4-fluorophenyl)propyl]amino]-N-hydroxyhexanamide
SMILESCC[C@@H](NCCCC[C@@H](Cc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C24H32F2N2O2/c1-4-22(19-8-10-21(25)11-9-19)27-12-6-5-7-20(24(29)28-30)15-18-13-16(2)23(26)17(3)14-18/h8-11,13-14,20,22,27,30H,4-7,12,15H2,1-3H3,(H,28,29)/t20-,22+/m0/s1
InChIKeyRKZDOJQKLCPUQZ-RBBKRZOGSA-N
XLogP5.16
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.53
LogP ≤ 55.16
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[[(1R)-1-(4-fluorophenyl)propyl]amino]-N-hydroxyhexanamide?
The IUPAC name of (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[[(1R)-1-(4-fluorophenyl)propyl]amino]-N-hydroxyhexanamide (CID 70691618) is (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[[(1R)-1-(4-fluorophenyl)propyl]amino]-N-hydroxyhexanamide.
What is the SMILES notation for (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[[(1R)-1-(4-fluorophenyl)propyl]amino]-N-hydroxyhexanamide?
The canonical SMILES for (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[[(1R)-1-(4-fluorophenyl)propyl]amino]-N-hydroxyhexanamide is CC[C@@H](NCCCC[C@@H](Cc1cc(C)c(F)c(C)c1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[[(1R)-1-(4-fluorophenyl)propyl]amino]-N-hydroxyhexanamide?
The InChIKey is RKZDOJQKLCPUQZ-RBBKRZOGSA-N. The full InChI is InChI=1S/C24H32F2N2O2/c1-4-22(19-8-10-21(25)11-9-19)27-12-6-5-7-20(24(29)28-30)15-18-13-16(2)23(26)17(3)14-18/h8-11,13-14,20,22,27,30H,4-7,12,15H2,1-3H3,(H,28,29)/t20-,22+/m0/s1.
What are the key properties of (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[[(1R)-1-(4-fluorophenyl)propyl]amino]-N-hydroxyhexanamide?
(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[[(1R)-1-(4-fluorophenyl)propyl]amino]-N-hydroxyhexanamide has a molecular weight of 418.53 g/mol, XLogP of 5.16, 11 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-[[(1R)-1-(4-fluorophenyl)propyl]amino]-N-hydroxyhexanamide is sourced from PubChem (CID 70691618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).