4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide

C17H17FN2O2 — CID 4791204

IUPAC4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide
SMILESCC(CC(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H17FN2O2/c1-12(13-5-3-2-4-6-13)11-16(21)19-20-17(22)14-7-9-15(18)10-8-14/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyMWEDKFNPBWAYQP-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.78
Rot. Bonds4

About 4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide

4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide (PubChem CID 4791204) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide
PubChem CID4791204
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide
SMILESCC(CC(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C17H17FN2O2/c1-12(13-5-3-2-4-6-13)11-16(21)19-20-17(22)14-7-9-15(18)10-8-14/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyMWEDKFNPBWAYQP-UHFFFAOYSA-N
XLogP2.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.78
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

N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide
CID 4790819
N-[3-[2-(4-fluorobenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 4789962
N-[2-[3-(4-fluorophenyl)butanoylamino]phenyl]benzamide
CID 55919521
(3S)-N-(4-fluorophenyl)-3-phenylbutanamide
CID 1122411
3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide
CID 40591024
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
CID 46828416
N-[2-(4-fluorophenyl)ethyl]-3-phenylbutanamide
CID 2914347
4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide
CID 9340857
[2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227757
1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide
CID 2090701
N'-[(1S)-3-(4-fluorophenyl)-3-oxo-1-phenylpropyl]benzohydrazide
CID 53355842
N-hydroxy-4-[(2S,6R)-4-oxo-6-phenylheptan-2-yl]benzamide
CID 58417651

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide?
The IUPAC name of 4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide (CID 4791204) is 4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide?
The canonical SMILES for 4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide is CC(CC(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide?
The InChIKey is MWEDKFNPBWAYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12(13-5-3-2-4-6-13)11-16(21)19-20-17(22)14-7-9-15(18)10-8-14/h2-10,12H,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide?
4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide has a molecular weight of 300.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide is sourced from PubChem (CID 4791204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).