4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide

C18H19FN2O2 — CID 9340857

IUPAC4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide
SMILESCCC[C@H](C(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-2-6-16(13-7-4-3-5-8-13)18(23)21-20-17(22)14-9-11-15(19)12-10-14/h3-5,7-12,16H,2,6H2,1H3,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyGZLMORVQKMCFOA-INIZCTEOSA-N
MW314.36 g/mol
LogP3.17
Rot. Bonds5

About 4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide

4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide (PubChem CID 9340857) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide.

Molecular Properties

Compound Name4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide
PubChem CID9340857
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide
SMILESCCC[C@H](C(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C18H19FN2O2/c1-2-6-16(13-7-4-3-5-8-13)18(23)21-20-17(22)14-9-11-15(19)12-10-14/h3-5,7-12,16H,2,6H2,1H3,(H,20,22)(H,21,23)/t16-/m0/s1
InChIKeyGZLMORVQKMCFOA-INIZCTEOSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.17
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-ethoxy-N'-[(2R)-2-phenylpentanoyl]benzohydrazide
CID 9492761
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
4-ethoxy-3-methoxy-N'-(2-phenylpentanoyl)benzohydrazide
CID 78585454
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
N'-(3,3-diphenylpropanoyl)-4-fluorobenzohydrazide
CID 4790819
4-fluoro-N'-(3-phenylbutanoyl)benzohydrazide
CID 4791204
(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide
CID 2547216
(2S)-N'-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetyl]-2-phenylpentanehydrazide
CID 9076071
N-[1-[2-(4-fluorobenzoyl)hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 78512632
(2S)-N'-[2-(2-methylphenoxy)acetyl]-2-phenylpentanehydrazide
CID 9470073
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
2-fluoro-N'-(2-phenylbutanoyl)benzohydrazide
CID 51145365

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide?
The IUPAC name of 4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide (CID 9340857) is 4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide.
What is the SMILES notation for 4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide?
The canonical SMILES for 4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide is CCC[C@H](C(=O)NNC(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide?
The InChIKey is GZLMORVQKMCFOA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-2-6-16(13-7-4-3-5-8-13)18(23)21-20-17(22)14-9-11-15(19)12-10-14/h3-5,7-12,16H,2,6H2,1H3,(H,20,22)(H,21,23)/t16-/m0/s1.
What are the key properties of 4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide?
4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide has a molecular weight of 314.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide is sourced from PubChem (CID 9340857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).