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

C23H30F2N2O2 — CID 24991001

IUPAC(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide
SMILESCc1cc(CNCCCC[C@@H](Cc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F
InChIInChI=1S/C23H30F2N2O2/c1-15-10-18(7-8-21(15)24)14-26-9-5-4-6-20(23(28)27-29)13-19-11-16(2)22(25)17(3)12-19/h7-8,10-12,20,26,29H,4-6,9,13-14H2,1-3H3,(H,27,28)/t20-/m0/s1
InChIKeyAHUQVIPXNBTOTP-FQEVSTJZSA-N
MW404.50 g/mol
LogP4.51
Rot. Bonds10

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

(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide (PubChem CID 24991001) has the molecular formula C23H30F2N2O2 and a molecular weight of 404.50 g/mol. Its IUPAC name is (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide
PubChem CID24991001
Molecular FormulaC23H30F2N2O2
Molecular Weight404.50 g/mol
Exact Mass404.23
IUPAC Name(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide
SMILESCc1cc(CNCCCC[C@@H](Cc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F
InChIInChI=1S/C23H30F2N2O2/c1-15-10-18(7-8-21(15)24)14-26-9-5-4-6-20(23(28)27-29)13-19-11-16(2)22(25)17(3)12-19/h7-8,10-12,20,26,29H,4-6,9,13-14H2,1-3H3,(H,27,28)/t20-/m0/s1
InChIKeyAHUQVIPXNBTOTP-FQEVSTJZSA-N
XLogP4.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.51
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-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide?
The IUPAC name of (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide (CID 24991001) is (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide.
What is the SMILES notation for (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide?
The canonical SMILES for (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide is Cc1cc(CNCCCC[C@@H](Cc2cc(C)c(F)c(C)c2)C(=O)NO)ccc1F.
What is the InChIKey of (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide?
The InChIKey is AHUQVIPXNBTOTP-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H30F2N2O2/c1-15-10-18(7-8-21(15)24)14-26-9-5-4-6-20(23(28)27-29)13-19-11-16(2)22(25)17(3)12-19/h7-8,10-12,20,26,29H,4-6,9,13-14H2,1-3H3,(H,27,28)/t20-/m0/s1.
What are the key properties of (2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide?
(2S)-2-[(4-fluoro-3,5-dimethylphenyl)methyl]-6-[(4-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide has a molecular weight of 404.50 g/mol, XLogP of 4.51, 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-fluoro-3-methylphenyl)methylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 24991001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).