(2S,3S)-5,5,5-trifluoro-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide

C19H20F3NO4 — CID 87355222

IUPAC(2S,3S)-5,5,5-trifluoro-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide
SMILESC[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)NO)[C@@H](O)CC(F)(F)F
InChIInChI=1S/C19H20F3NO4/c1-18(17(25)23-26,16(24)11-19(20,21)22)27-12-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,16,24,26H,11-12H2,1H3,(H,23,25)/t16-,18-/m0/s1
InChIKeyJCZKNQBVKSRKGG-WMZOPIPTSA-N
MW383.37 g/mol
LogP3.45
Rot. Bonds7

About (2S,3S)-5,5,5-trifluoro-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide

(2S,3S)-5,5,5-trifluoro-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide (PubChem CID 87355222) has the molecular formula C19H20F3NO4 and a molecular weight of 383.37 g/mol. Its IUPAC name is (2S,3S)-5,5,5-trifluoro-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide.

Molecular Properties

Compound Name(2S,3S)-5,5,5-trifluoro-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide
PubChem CID87355222
Molecular FormulaC19H20F3NO4
Molecular Weight383.37 g/mol
Exact Mass383.13
IUPAC Name(2S,3S)-5,5,5-trifluoro-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide
SMILESC[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)NO)[C@@H](O)CC(F)(F)F
InChIInChI=1S/C19H20F3NO4/c1-18(17(25)23-26,16(24)11-19(20,21)22)27-12-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,16,24,26H,11-12H2,1H3,(H,23,25)/t16-,18-/m0/s1
InChIKeyJCZKNQBVKSRKGG-WMZOPIPTSA-N
XLogP3.45
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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,3S)-5,5,5-trifluoro-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide?
The IUPAC name of (2S,3S)-5,5,5-trifluoro-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide (CID 87355222) is (2S,3S)-5,5,5-trifluoro-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide.
What is the SMILES notation for (2S,3S)-5,5,5-trifluoro-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide?
The canonical SMILES for (2S,3S)-5,5,5-trifluoro-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide is C[C@@](OCc1ccc(-c2ccccc2)cc1)(C(=O)NO)[C@@H](O)CC(F)(F)F.
What is the InChIKey of (2S,3S)-5,5,5-trifluoro-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide?
The InChIKey is JCZKNQBVKSRKGG-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H20F3NO4/c1-18(17(25)23-26,16(24)11-19(20,21)22)27-12-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,16,24,26H,11-12H2,1H3,(H,23,25)/t16-,18-/m0/s1.
What are the key properties of (2S,3S)-5,5,5-trifluoro-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide?
(2S,3S)-5,5,5-trifluoro-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide has a molecular weight of 383.37 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-5,5,5-trifluoro-N,3-dihydroxy-2-methyl-2-[(4-phenylphenyl)methoxy]pentanamide is sourced from PubChem (CID 87355222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).