N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide

C16H14ClFN2O2S — CID 9037919

IUPACN'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide
SMILESO=C(CSCc1ccccc1Cl)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O2S/c17-14-4-2-1-3-12(14)9-23-10-15(21)19-20-16(22)11-5-7-13(18)8-6-11/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyISWIRUKYORMFOR-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.17
Rot. Bonds5

About N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide

N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide (PubChem CID 9037919) has the molecular formula C16H14ClFN2O2S and a molecular weight of 352.82 g/mol. Its IUPAC name is N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide
PubChem CID9037919
Molecular FormulaC16H14ClFN2O2S
Molecular Weight352.82 g/mol
Exact Mass352.04
IUPAC NameN'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide
SMILESO=C(CSCc1ccccc1Cl)NNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O2S/c17-14-4-2-1-3-12(14)9-23-10-15(21)19-20-16(22)11-5-7-13(18)8-6-11/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyISWIRUKYORMFOR-UHFFFAOYSA-N
XLogP3.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]benzohydrazide
CID 2221364
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 9366100
2-(2-chlorophenoxy)-N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]acetohydrazide
CID 9321185
2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28956969
4-hydroxy-N'-[2-(naphthalen-1-ylmethylsulfanyl)acetyl]benzohydrazide
CID 21108830
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-fluorobenzohydrazide
CID 8713670
N-(2-chlorophenyl)-4-[2-(4-fluorobenzoyl)hydrazinyl]-4-oxobutanamide
CID 5229522
N'-[2-(2,6-dichlorophenoxy)acetyl]-4-fluorobenzohydrazide
CID 24684710
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
4-[(2-chlorophenyl)methylsulfanylmethyl]benzohydrazide
CID 103290660
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 958766
N'-[3-(2-chlorophenyl)propanoyl]-4-phenylbenzohydrazide
CID 17179113

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide (CID 9037919) is N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide is O=C(CSCc1ccccc1Cl)NNC(=O)c1ccc(F)cc1.
What is the InChIKey of N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide?
The InChIKey is ISWIRUKYORMFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2S/c17-14-4-2-1-3-12(14)9-23-10-15(21)19-20-16(22)11-5-7-13(18)8-6-11/h1-8H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide?
N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide has a molecular weight of 352.82 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 9037919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).