2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide

C23H19FN2O4 — CID 9091705

IUPAC2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C23H19FN2O4/c1-15(30-18-13-11-17(24)12-14-18)22(28)25-26-23(29)20-10-6-5-9-19(20)21(27)16-7-3-2-4-8-16/h2-15H,1H3,(H,25,28)(H,26,29)/t15-/m0/s1
InChIKeyGAGMHYAMFZYLIW-HNNXBMFYSA-N
MW406.41 g/mol
LogP3.29
Rot. Bonds6

About 2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide

2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide (PubChem CID 9091705) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is 2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound Name2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
PubChem CID9091705
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
SMILESC[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C23H19FN2O4/c1-15(30-18-13-11-17(24)12-14-18)22(28)25-26-23(29)20-10-6-5-9-19(20)21(27)16-7-3-2-4-8-16/h2-15H,1H3,(H,25,28)(H,26,29)/t15-/m0/s1
InChIKeyGAGMHYAMFZYLIW-HNNXBMFYSA-N
XLogP3.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 26003921
N'-[2-(4-fluorophenoxy)propanoyl]-2,3-dimethylbenzohydrazide
CID 51161387
3,5-difluoro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 4820872
N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-propan-2-yloxybenzohydrazide
CID 7965233
N-[1-[2-[2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 46521359
2-bromo-5-fluoro-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 9160446
N'-[(2S)-2-(4-bromophenoxy)propanoyl]-2-fluorobenzohydrazide
CID 9401790
2-(4-acetylphenoxy)-N'-[2-(4-fluorophenoxy)propanoyl]propanehydrazide
CID 24554519
N'-[(2R)-2-(4-bromophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 9340444
4-chloro-N'-[2-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 24638274
N'-[(2S)-2-(4-chlorophenoxy)propanoyl]-4-fluorobenzohydrazide
CID 684854
(2S)-N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-2-(4-methoxyphenoxy)propanehydrazide
CID 42091432

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The IUPAC name of 2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide (CID 9091705) is 2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide.
What is the SMILES notation for 2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The canonical SMILES for 2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide is C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide?
The InChIKey is GAGMHYAMFZYLIW-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-15(30-18-13-11-17(24)12-14-18)22(28)25-26-23(29)20-10-6-5-9-19(20)21(27)16-7-3-2-4-8-16/h2-15H,1H3,(H,25,28)(H,26,29)/t15-/m0/s1.
What are the key properties of 2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide?
2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide has a molecular weight of 406.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 9091705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).