N'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide

C24H21FN2O3 — CID 9161711

IUPACN'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide
SMILESO=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C24H21FN2O3/c25-21-12-6-17(7-13-21)16-24(30)27-26-23(29)15-14-22(28)20-10-8-19(9-11-20)18-4-2-1-3-5-18/h1-13H,14-16H2,(H,26,29)(H,27,30)
InChIKeyATVBSRLYDBZXEY-UHFFFAOYSA-N
MW404.44 g/mol
LogP3.85
Rot. Bonds7

About N'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide

N'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide (PubChem CID 9161711) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide
PubChem CID9161711
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC NameN'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide
SMILESO=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C24H21FN2O3/c25-21-12-6-17(7-13-21)16-24(30)27-26-23(29)15-14-22(28)20-10-8-19(9-11-20)18-4-2-1-3-5-18/h1-13H,14-16H2,(H,26,29)(H,27,30)
InChIKeyATVBSRLYDBZXEY-UHFFFAOYSA-N
XLogP3.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
N'-[2-(2-fluorophenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9471970
2-(4-fluorophenyl)-N'-phenylacetohydrazide
CID 78774551
N'-[2-(4-ethylphenoxy)acetyl]-4-(4-fluorophenyl)-4-oxobutanehydrazide
CID 9472118
N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide
CID 71943599
2-[4-(4-hydroxyphenyl)phenyl]-1-phenylethanone
CID 82541267
N-(benzenesulfonyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 86997724
N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46467442
N'-[2-(4-fluorophenyl)acetyl]-3-(2-methoxyphenyl)propanehydrazide
CID 40730249
methyl 4-oxo-4-(4-phenylphenyl)butanoate
CID 527312
methyl 4-oxo-4-[4-(4-phenylphenyl)phenyl]butanoate
CID 10871655
4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide
CID 51186783

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide?
The IUPAC name of N'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide (CID 9161711) is N'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide.
What is the SMILES notation for N'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide?
The canonical SMILES for N'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide is O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide?
The InChIKey is ATVBSRLYDBZXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c25-21-12-6-17(7-13-21)16-24(30)27-26-23(29)15-14-22(28)20-10-8-19(9-11-20)18-4-2-1-3-5-18/h1-13H,14-16H2,(H,26,29)(H,27,30).
What are the key properties of N'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide?
N'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide has a molecular weight of 404.44 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide is sourced from PubChem (CID 9161711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).