2,3-dihydroxypropyl 2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]benzoate

C17H17F3N2O4 — CID 154143150

IUPAC2,3-dihydroxypropyl 2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]benzoate
SMILESO=C(OCC(O)CO)c1ccccc1NNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O4/c18-17(19,20)11-4-3-5-12(8-11)21-22-15-7-2-1-6-14(15)16(25)26-10-13(24)9-23/h1-8,13,21-24H,9-10H2
InChIKeyLIUDMTRRLBFWLD-UHFFFAOYSA-N
MW370.33 g/mol
LogP2.65
Rot. Bonds7

About 2,3-dihydroxypropyl 2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]benzoate

2,3-dihydroxypropyl 2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]benzoate (PubChem CID 154143150) has the molecular formula C17H17F3N2O4 and a molecular weight of 370.33 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]benzoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]benzoate
PubChem CID154143150
Molecular FormulaC17H17F3N2O4
Molecular Weight370.33 g/mol
Exact Mass370.11
IUPAC Name2,3-dihydroxypropyl 2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]benzoate
SMILESO=C(OCC(O)CO)c1ccccc1NNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O4/c18-17(19,20)11-4-3-5-12(8-11)21-22-15-7-2-1-6-14(15)16(25)26-10-13(24)9-23/h1-8,13,21-24H,9-10H2
InChIKeyLIUDMTRRLBFWLD-UHFFFAOYSA-N
XLogP2.65
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[3-(trifluoromethyl)anilino]benzoyl]oxyethoxy]ethyl 2-[3-(trifluoromethyl)anilino]benzoate
CID 129318388
ethyl 2-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzoate
CID 9082931
(2-methoxy-2-oxoethyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 16619639
ethyl 2-[[3-oxo-3-[3-(trifluoromethyl)anilino]propanoyl]amino]benzoate
CID 108956085
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 8789976
(2-oxo-2-piperidin-1-ylethyl) 2-[3-(trifluoromethyl)anilino]benzoate
CID 4842956
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 2347853
1-[2-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]hydrazine
CID 87619442
[2-(3-chlorophenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]benzoate
CID 2382911
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-(methylamino)benzoate
CID 7953763
methyl 2-[[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]amino]benzoate
CID 109040725

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]benzoate?
The IUPAC name of 2,3-dihydroxypropyl 2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]benzoate (CID 154143150) is 2,3-dihydroxypropyl 2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]benzoate.
What is the SMILES notation for 2,3-dihydroxypropyl 2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]benzoate?
The canonical SMILES for 2,3-dihydroxypropyl 2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]benzoate is O=C(OCC(O)CO)c1ccccc1NNc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,3-dihydroxypropyl 2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]benzoate?
The InChIKey is LIUDMTRRLBFWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4/c18-17(19,20)11-4-3-5-12(8-11)21-22-15-7-2-1-6-14(15)16(25)26-10-13(24)9-23/h1-8,13,21-24H,9-10H2.
What are the key properties of 2,3-dihydroxypropyl 2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]benzoate?
2,3-dihydroxypropyl 2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]benzoate has a molecular weight of 370.33 g/mol, XLogP of 2.65, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]benzoate is sourced from PubChem (CID 154143150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).