N'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide

C22H20F2N2O2 — CID 134945743

IUPACN'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide
SMILESO=C(NN[C@@H](c1ccccc1)C(F)(F)C(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20F2N2O2/c23-22(24,20(27)17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)25-26-21(28)18-14-8-3-9-15-18/h1-15,19-20,25,27H,(H,26,28)/t19-,20?/m0/s1
InChIKeyBMKCPIVJHFPUOT-XJDOXCRVSA-N
MW382.41 g/mol
LogP4.03
Rot. Bonds7

About N'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide

N'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide (PubChem CID 134945743) has the molecular formula C22H20F2N2O2 and a molecular weight of 382.41 g/mol. Its IUPAC name is N'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide
PubChem CID134945743
Molecular FormulaC22H20F2N2O2
Molecular Weight382.41 g/mol
Exact Mass382.15
IUPAC NameN'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide
SMILESO=C(NN[C@@H](c1ccccc1)C(F)(F)C(O)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20F2N2O2/c23-22(24,20(27)17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)25-26-21(28)18-14-8-3-9-15-18/h1-15,19-20,25,27H,(H,26,28)/t19-,20?/m0/s1
InChIKeyBMKCPIVJHFPUOT-XJDOXCRVSA-N
XLogP4.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide
CID 135004139
N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide
CID 146167409
N'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide
CID 134945741
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
N'-[(1S)-1,2-diphenylethyl]benzohydrazide
CID 14923144
N'-[(2R)-3-methylbutan-2-yl]benzohydrazide
CID 134967079
N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide
CID 14923152
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
N-methylbenzamide
CID 11954
N'-[cyclopentyl(phenyl)methyl]benzohydrazide
CID 54339483
N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide
CID 53355842
1,2-diphenyl-2-[4-(trifluoromethyl)anilino]ethanone
CID 134071873

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide?
The IUPAC name of N'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide (CID 134945743) is N'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide.
What is the SMILES notation for N'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide?
The canonical SMILES for N'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide is O=C(NN[C@@H](c1ccccc1)C(F)(F)C(O)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide?
The InChIKey is BMKCPIVJHFPUOT-XJDOXCRVSA-N. The full InChI is InChI=1S/C22H20F2N2O2/c23-22(24,20(27)17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)25-26-21(28)18-14-8-3-9-15-18/h1-15,19-20,25,27H,(H,26,28)/t19-,20?/m0/s1.
What are the key properties of N'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide?
N'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide has a molecular weight of 382.41 g/mol, XLogP of 4.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide is sourced from PubChem (CID 134945743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).