N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide

C23H20F2N2O2 — CID 135004139

IUPACN'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide
SMILESCc1ccc([C@H](NNC(=O)c2ccccc2)C(F)(F)C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20F2N2O2/c1-16-12-14-17(15-13-16)20(26-27-22(29)19-10-6-3-7-11-19)23(24,25)21(28)18-8-4-2-5-9-18/h2-15,20,26H,1H3,(H,27,29)/t20-/m0/s1
InChIKeyGZNWTYVGIJCZNS-FQEVSTJZSA-N
MW394.42 g/mol
LogP4.49
Rot. Bonds7

About N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide

N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide (PubChem CID 135004139) has the molecular formula C23H20F2N2O2 and a molecular weight of 394.42 g/mol. Its IUPAC name is N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide
PubChem CID135004139
Molecular FormulaC23H20F2N2O2
Molecular Weight394.42 g/mol
Exact Mass394.15
IUPAC NameN'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide
SMILESCc1ccc([C@H](NNC(=O)c2ccccc2)C(F)(F)C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20F2N2O2/c1-16-12-14-17(15-13-16)20(26-27-22(29)19-10-6-3-7-11-19)23(24,25)21(28)18-8-4-2-5-9-18/h2-15,20,26H,1H3,(H,27,29)/t20-/m0/s1
InChIKeyGZNWTYVGIJCZNS-FQEVSTJZSA-N
XLogP4.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(1R)-2,2-difluoro-3-oxo-3-phenyl-1-thiophen-2-ylpropyl]benzohydrazide
CID 134945741
N'-[(1S)-2,2-difluoro-3-hydroxy-1,3-diphenylpropyl]benzohydrazide
CID 134945743
N-[(1R)-2,2,2-trichloro-1-(4-methylphenyl)ethyl]benzamide
CID 2305846
N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide
CID 146167409
3-anilino-3-(4-chlorophenyl)-2,2-difluoro-1-phenylpropan-1-one
CID 122213921
2-(4-methylphenyl)-1,2,2-triphenylethanone
CID 122207100
2-[2-(4-methylbenzoyl)hydrazinyl]-2-phenylacetamide
CID 42939756
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one
CID 151177230
N-[1-(4-butoxyphenyl)-2,2-difluoro-3-(4-methylphenyl)-3-oxopropyl]-2-methylpropane-2-sulfinamide
CID 129064452
N'-[(2R)-3-methylbutan-2-yl]benzohydrazide
CID 134967079
(3S)-2,2-difluoro-3-(4-fluorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 134967315

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide?
The IUPAC name of N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide (CID 135004139) is N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide.
What is the SMILES notation for N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide?
The canonical SMILES for N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide is Cc1ccc([C@H](NNC(=O)c2ccccc2)C(F)(F)C(=O)c2ccccc2)cc1.
What is the InChIKey of N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide?
The InChIKey is GZNWTYVGIJCZNS-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H20F2N2O2/c1-16-12-14-17(15-13-16)20(26-27-22(29)19-10-6-3-7-11-19)23(24,25)21(28)18-8-4-2-5-9-18/h2-15,20,26H,1H3,(H,27,29)/t20-/m0/s1.
What are the key properties of N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide?
N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide has a molecular weight of 394.42 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-2,2-difluoro-1-(4-methylphenyl)-3-oxo-3-phenylpropyl]benzohydrazide is sourced from PubChem (CID 135004139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).