2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide

C23H17FN4O3 — CID 134031148

IUPAC2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)NNC(=O)c4ccccc4F)cc3)o2)cc1
InChIInChI=1S/C23H17FN4O3/c1-14-6-8-16(9-7-14)22-27-28-23(31-22)17-12-10-15(11-13-17)20(29)25-26-21(30)18-4-2-3-5-19(18)24/h2-13H,1H3,(H,25,29)(H,26,30)
InChIKeySDIRYLPCSKSNGN-UHFFFAOYSA-N
MW416.41 g/mol
LogP3.93
Rot. Bonds4

About 2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide

2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide (PubChem CID 134031148) has the molecular formula C23H17FN4O3 and a molecular weight of 416.41 g/mol. Its IUPAC name is 2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide.

Molecular Properties

Compound Name2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide
PubChem CID134031148
Molecular FormulaC23H17FN4O3
Molecular Weight416.41 g/mol
Exact Mass416.13
IUPAC Name2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide
SMILESCc1ccc(-c2nnc(-c3ccc(C(=O)NNC(=O)c4ccccc4F)cc3)o2)cc1
InChIInChI=1S/C23H17FN4O3/c1-14-6-8-16(9-7-14)22-27-28-23(31-22)17-12-10-15(11-13-17)20(29)25-26-21(30)18-4-2-3-5-19(18)24/h2-13H,1H3,(H,25,29)(H,26,30)
InChIKeySDIRYLPCSKSNGN-UHFFFAOYSA-N
XLogP3.93
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide
CID 9084736
N'-(2-fluorobenzoyl)pyridine-4-carbohydrazide
CID 959956
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368
2-fluoro-N'-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzohydrazide
CID 9401697
1-(2-fluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 861626
methyl 4-[1-[2-[4-[5-(4-prop-1-en-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]hydrazinyl]ethenyl]benzoate
CID 89169855
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-pentan-3-ylbenzamide
CID 17495617
2-chloro-N-[2-[[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]ethyl]benzamide
CID 55659481
4-bromo-2-fluoro-N'-(4-methylbenzoyl)benzohydrazide
CID 9086771
N-(2-methylbutan-2-yl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 134030230
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 43038343
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-methylphenyl]benzamide
CID 142440284

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide?
The IUPAC name of 2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide (CID 134031148) is 2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide.
What is the SMILES notation for 2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide?
The canonical SMILES for 2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide is Cc1ccc(-c2nnc(-c3ccc(C(=O)NNC(=O)c4ccccc4F)cc3)o2)cc1.
What is the InChIKey of 2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide?
The InChIKey is SDIRYLPCSKSNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O3/c1-14-6-8-16(9-7-14)22-27-28-23(31-22)17-12-10-15(11-13-17)20(29)25-26-21(30)18-4-2-3-5-19(18)24/h2-13H,1H3,(H,25,29)(H,26,30).
What are the key properties of 2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide?
2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide has a molecular weight of 416.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]benzohydrazide is sourced from PubChem (CID 134031148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).