N'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide

C16H16F2N2O2 — CID 110026067

IUPACN'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide
SMILESCC(O)(CC(=O)NNc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C16H16F2N2O2/c1-16(22,11-5-3-2-4-6-11)10-15(21)20-19-14-8-7-12(17)9-13(14)18/h2-9,19,22H,10H2,1H3,(H,20,21)
InChIKeyHHPZSSRAVPZHQS-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.71
Rot. Bonds5

About N'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide

N'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide (PubChem CID 110026067) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is N'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide.

Molecular Properties

Compound NameN'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide
PubChem CID110026067
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC NameN'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide
SMILESCC(O)(CC(=O)NNc1ccc(F)cc1F)c1ccccc1
InChIInChI=1S/C16H16F2N2O2/c1-16(22,11-5-3-2-4-6-11)10-15(21)20-19-14-8-7-12(17)9-13(14)18/h2-9,19,22H,10H2,1H3,(H,20,21)
InChIKeyHHPZSSRAVPZHQS-UHFFFAOYSA-N
XLogP2.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.71
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'-(2-fluoro-5-methylphenyl)-3-hydroxy-3-phenylbutanehydrazide
CID 110026076
N-(4-fluoro-2-methylphenyl)-3-hydroxy-3-phenylbutanamide
CID 110024305
N'-[2-(2-fluorophenyl)acetyl]-3-hydroxy-3-phenylbutanehydrazide
CID 110025321
N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024335
3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide
CID 110026460
4-(2,4-difluoroanilino)-3,3-dimethylbutanoic acid
CID 115220201
5-chloro-2-[(3-hydroxy-3-phenylbutanoyl)amino]-N-methylbenzamide
CID 110024808
N-(2-acetamido-4-chlorophenyl)-3-hydroxy-3-phenylbutanamide
CID 110025284
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
2-chloro-N-(2,4-difluorophenyl)-2,2-diphenylacetamide
CID 3347125
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxy-3-phenylbutanamide
CID 110024507
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024409

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide?
The IUPAC name of N'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide (CID 110026067) is N'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide.
What is the SMILES notation for N'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide?
The canonical SMILES for N'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide is CC(O)(CC(=O)NNc1ccc(F)cc1F)c1ccccc1.
What is the InChIKey of N'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide?
The InChIKey is HHPZSSRAVPZHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-16(22,11-5-3-2-4-6-11)10-15(21)20-19-14-8-7-12(17)9-13(14)18/h2-9,19,22H,10H2,1H3,(H,20,21).
What are the key properties of N'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide?
N'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide has a molecular weight of 306.31 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorophenyl)-3-hydroxy-3-phenylbutanehydrazide is sourced from PubChem (CID 110026067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).