N'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide

C20H16F2N2O2S — CID 134945741

IUPACN'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide
SMILESO=C(NN[C@@H](c1cccs1)C(F)(F)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16F2N2O2S/c21-20(22,18(25)14-8-3-1-4-9-14)17(16-12-7-13-27-16)23-24-19(26)15-10-5-2-6-11-15/h1-13,17,23H,(H,24,26)/t17-/m0/s1
InChIKeyQCWLGWGKRWUWSM-KRWDZBQOSA-N
MW386.42 g/mol
LogP4.24
Rot. Bonds7

About N'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide

N'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide (PubChem CID 134945741) has the molecular formula C20H16F2N2O2S and a molecular weight of 386.42 g/mol. Its IUPAC name is N'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide
PubChem CID134945741
Molecular FormulaC20H16F2N2O2S
Molecular Weight386.42 g/mol
Exact Mass386.09
IUPAC NameN'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide
SMILESO=C(NN[C@@H](c1cccs1)C(F)(F)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16F2N2O2S/c21-20(22,18(25)14-8-3-1-4-9-14)17(16-12-7-13-27-16)23-24-19(26)15-10-5-2-6-11-15/h1-13,17,23H,(H,24,26)/t17-/m0/s1
InChIKeyQCWLGWGKRWUWSM-KRWDZBQOSA-N
XLogP4.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide
CID 134945743
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide
CID 146167409
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
[3-(2-benzoylhydrazinyl)-3-oxo-1-thiophen-2-ylpropyl]urea
CID 134011246
2-hydroxy-2,2-diphenyl-N'-[phenyl(thiophen-2-yl)methyl]acetohydrazide
CID 3780877
N'-[bis(2-hydroxyphenyl)methyl]benzohydrazide
CID 139929834
4-benzoyl-N-(1-thiophen-2-ylethyl)benzamide
CID 17431646
N'-[(2R)-3-methylbutan-2-yl]benzohydrazide
CID 134967079
N'-oxidobenzohydrazide
CID 174971627
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide?
The IUPAC name of N'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide (CID 134945741) is N'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide.
What is the SMILES notation for N'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide?
The canonical SMILES for N'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide is O=C(NN[C@@H](c1cccs1)C(F)(F)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide?
The InChIKey is QCWLGWGKRWUWSM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H16F2N2O2S/c21-20(22,18(25)14-8-3-1-4-9-14)17(16-12-7-13-27-16)23-24-19(26)15-10-5-2-6-11-15/h1-13,17,23H,(H,24,26)/t17-/m0/s1.
What are the key properties of N'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide?
N'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide has a molecular weight of 386.42 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide is sourced from PubChem (CID 134945741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).