2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide

C15H15FN2OS — CID 105352338

IUPAC2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CSc2ccccc2F)cc1
InChIInChI=1S/C15H15FN2OS/c16-13-3-1-2-4-14(13)20-10-12-7-5-11(6-8-12)9-15(19)18-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyWDXCJFTUXDQPFJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.65
Rot. Bonds5

About 2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide

2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide (PubChem CID 105352338) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide
PubChem CID105352338
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC Name2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CSc2ccccc2F)cc1
InChIInChI=1S/C15H15FN2OS/c16-13-3-1-2-4-14(13)20-10-12-7-5-11(6-8-12)9-15(19)18-17/h1-8H,9-10,17H2,(H,18,19)
InChIKeyWDXCJFTUXDQPFJ-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
1-fluoro-2-[(4-iodophenyl)methylsulfanyl]benzene
CID 65491729
3-[(2-fluorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 55215048
2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352343
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 100574546
2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352521
2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352545
1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
CID 132500103
methyl 2-[2-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetate
CID 115460832
2-(2-fluorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724258
4-fluoro-3-[(2-fluorophenyl)sulfanylmethyl]benzoic acid
CID 63098399
4-benzylsulfanyl-3-fluorobenzoic acid
CID 55106473

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide (CID 105352338) is 2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(CSc2ccccc2F)cc1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide?
The InChIKey is WDXCJFTUXDQPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2OS/c16-13-3-1-2-4-14(13)20-10-12-7-5-11(6-8-12)9-15(19)18-17/h1-8H,9-10,17H2,(H,18,19).
What are the key properties of 2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide?
2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide has a molecular weight of 290.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide is sourced from PubChem (CID 105352338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).