N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide

C22H19FN2O2 — CID 4790819

IUPACN'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O2/c23-19-13-11-18(12-14-19)22(27)25-24-21(26)15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,24,26)(H,25,27)
InChIKeyNHDSQEIDSUNNMS-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.81
Rot. Bonds5

About N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide

N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide (PubChem CID 4790819) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide
PubChem CID4790819
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC NameN'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide
SMILESO=C(CC(c1ccccc1)c1ccccc1)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C22H19FN2O2/c23-19-13-11-18(12-14-19)22(27)25-24-21(26)15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,24,26)(H,25,27)
InChIKeyNHDSQEIDSUNNMS-UHFFFAOYSA-N
XLogP3.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide
CID 4791204
N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 4789962
N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide
CID 53355842
N-(3,3-diphenylpropanoyl)benzamide
CID 101440172
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 26795770
4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide
CID 9340857
N'-(3,3-diphenylpropanoyl)thiophene-2-carbohydrazide
CID 9479339
N'-(3,3-diphenylpropanoyl)-3-nitrobenzohydrazide
CID 4023612
4-fluoro-N'-(4-phenoxybutanoyl)benzohydrazide
CID 7732785
2-[2-(3,3-diphenylpropanoyl)hydrazinyl]-2-oxoacetamide
CID 3469125
4-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184399
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide?
The IUPAC name of N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide (CID 4790819) is N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide.
What is the SMILES notation for N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide?
The canonical SMILES for N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide is O=C(CC(c1ccccc1)c1ccccc1)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide?
The InChIKey is NHDSQEIDSUNNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c23-19-13-11-18(12-14-19)22(27)25-24-21(26)15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,24,26)(H,25,27).
What are the key properties of N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide?
N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide has a molecular weight of 362.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide is sourced from PubChem (CID 4790819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).