(2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide

C16H15F3N2O2 — CID 96517757

IUPAC(2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide
SMILESCO[C@H](C(=O)NNc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H15F3N2O2/c1-23-14(11-7-3-2-4-8-11)15(22)21-20-13-10-6-5-9-12(13)16(17,18)19/h2-10,14,20H,1H3,(H,21,22)/t14-/m0/s1
InChIKeyWZZGZFWNODQVAN-AWEZNQCLSA-N
MW324.30 g/mol
LogP3.54
Rot. Bonds5

About (2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide

(2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide (PubChem CID 96517757) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is (2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name(2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide
PubChem CID96517757
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name(2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide
SMILESCO[C@H](C(=O)NNc1ccccc1C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H15F3N2O2/c1-23-14(11-7-3-2-4-8-11)15(22)21-20-13-10-6-5-9-12(13)16(17,18)19/h2-10,14,20H,1H3,(H,21,22)/t14-/m0/s1
InChIKeyWZZGZFWNODQVAN-AWEZNQCLSA-N
XLogP3.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide?
The IUPAC name of (2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide (CID 96517757) is (2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide.
What is the SMILES notation for (2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide?
The canonical SMILES for (2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide is CO[C@H](C(=O)NNc1ccccc1C(F)(F)F)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide?
The InChIKey is WZZGZFWNODQVAN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-23-14(11-7-3-2-4-8-11)15(22)21-20-13-10-6-5-9-12(13)16(17,18)19/h2-10,14,20H,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide?
(2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide has a molecular weight of 324.30 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-phenyl-N'-[2-(trifluoromethyl)phenyl]acetohydrazide is sourced from PubChem (CID 96517757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).