3-methyl-N'-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]benzohydrazide

C17H17F3N2O — CID 134958930

IUPAC3-methyl-N'-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]benzohydrazide
SMILESCc1cccc(C(=O)NN[C@H](Cc2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O/c1-12-6-5-9-14(10-12)16(23)22-21-15(17(18,19)20)11-13-7-3-2-4-8-13/h2-10,15,21H,11H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyHUUIAYBQYXUPER-OAHLLOKOSA-N
MW322.33 g/mol
LogP3.40
Rot. Bonds5

About 3-methyl-N'-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]benzohydrazide

3-methyl-N'-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]benzohydrazide (PubChem CID 134958930) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 3-methyl-N'-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]benzohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]benzohydrazide
PubChem CID134958930
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name3-methyl-N'-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]benzohydrazide
SMILESCc1cccc(C(=O)NN[C@H](Cc2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O/c1-12-6-5-9-14(10-12)16(23)22-21-15(17(18,19)20)11-13-7-3-2-4-8-13/h2-10,15,21H,11H2,1H3,(H,22,23)/t15-/m1/s1
InChIKeyHUUIAYBQYXUPER-OAHLLOKOSA-N
XLogP3.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-methyl-N'-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]benzohydrazide?
The IUPAC name of 3-methyl-N'-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]benzohydrazide (CID 134958930) is 3-methyl-N'-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]benzohydrazide.
What is the SMILES notation for 3-methyl-N'-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]benzohydrazide?
The canonical SMILES for 3-methyl-N'-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]benzohydrazide is Cc1cccc(C(=O)NN[C@H](Cc2ccccc2)C(F)(F)F)c1.
What is the InChIKey of 3-methyl-N'-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]benzohydrazide?
The InChIKey is HUUIAYBQYXUPER-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-12-6-5-9-14(10-12)16(23)22-21-15(17(18,19)20)11-13-7-3-2-4-8-13/h2-10,15,21H,11H2,1H3,(H,22,23)/t15-/m1/s1.
What are the key properties of 3-methyl-N'-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]benzohydrazide?
3-methyl-N'-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]benzohydrazide has a molecular weight of 322.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[(2R)-1,1,1-trifluoro-3-phenylpropan-2-yl]benzohydrazide is sourced from PubChem (CID 134958930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).