2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide

C16H14BrFN2O2S — CID 9157672

IUPAC2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)c2cc(F)ccc2Br)cc1
InChIInChI=1S/C16H14BrFN2O2S/c1-10-2-5-12(6-3-10)23-9-15(21)19-20-16(22)13-8-11(18)4-7-14(13)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyPNGWEXZXTUQGCC-UHFFFAOYSA-N
MW397.27 g/mol
LogP3.45
Rot. Bonds4

About 2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide

2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide (PubChem CID 9157672) has the molecular formula C16H14BrFN2O2S and a molecular weight of 397.27 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
PubChem CID9157672
Molecular FormulaC16H14BrFN2O2S
Molecular Weight397.27 g/mol
Exact Mass395.99
IUPAC Name2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
SMILESCc1ccc(SCC(=O)NNC(=O)c2cc(F)ccc2Br)cc1
InChIInChI=1S/C16H14BrFN2O2S/c1-10-2-5-12(6-3-10)23-9-15(21)19-20-16(22)13-8-11(18)4-7-14(13)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyPNGWEXZXTUQGCC-UHFFFAOYSA-N
XLogP3.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-fluorophenyl)sulfanylacetyl]-2-(4-methylphenyl)sulfanylacetohydrazide
CID 7970067
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-methylbenzohydrazide
CID 7479562
3,5-difluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 24642949
4-bromo-N'-[2-(4-fluorophenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide
CID 9256313
2-bromo-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-5-fluorobenzohydrazide
CID 9425057
N'-acetyl-2-(4-methylphenyl)sulfanylacetohydrazide
CID 17394299
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
3,5-dimethoxy-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide
CID 26616798
1-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 10802537
1-[(2-bromo-5-fluorobenzoyl)amino]-3-methylthiourea
CID 167421120
1-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43426355
4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamoyl]benzenesulfonamide
CID 24642899

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
The IUPAC name of 2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide (CID 9157672) is 2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide.
What is the SMILES notation for 2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
The canonical SMILES for 2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide is Cc1ccc(SCC(=O)NNC(=O)c2cc(F)ccc2Br)cc1.
What is the InChIKey of 2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
The InChIKey is PNGWEXZXTUQGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O2S/c1-10-2-5-12(6-3-10)23-9-15(21)19-20-16(22)13-8-11(18)4-7-14(13)17/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide?
2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide has a molecular weight of 397.27 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N'-[2-(4-methylphenyl)sulfanylacetyl]benzohydrazide is sourced from PubChem (CID 9157672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).