N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide

C17H16ClFN2O3S — CID 9471896

IUPACN'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)CSCc1cccc(Cl)c1
InChIInChI=1S/C17H16ClFN2O3S/c18-13-5-3-4-12(8-13)10-25-11-17(23)21-20-16(22)9-24-15-7-2-1-6-14(15)19/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyRSHKGVATGWHOHY-UHFFFAOYSA-N
MW382.84 g/mol
LogP2.94
Rot. Bonds7

About N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide

N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide (PubChem CID 9471896) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide.

Molecular Properties

Compound NameN'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide
PubChem CID9471896
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC NameN'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide
SMILESO=C(COc1ccccc1F)NNC(=O)CSCc1cccc(Cl)c1
InChIInChI=1S/C17H16ClFN2O3S/c18-13-5-3-4-12(8-13)10-25-11-17(23)21-20-16(22)9-24-15-7-2-1-6-14(15)19/h1-8H,9-11H2,(H,20,22)(H,21,23)
InChIKeyRSHKGVATGWHOHY-UHFFFAOYSA-N
XLogP2.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 52.94
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

N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-ethoxyphenoxy)acetohydrazide
CID 31307704
2-(2-fluorophenoxy)-N'-[2-(thiophen-2-ylmethylsulfanyl)acetyl]acetohydrazide
CID 8636119
2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
CID 9471875
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 27689068
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-4-methylbenzohydrazide
CID 9475924
benzyl 2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]amino]acetate
CID 2608857
N-[(3-chlorophenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51158751
N'-(2-benzylsulfanylacetyl)-5-chloro-2-methoxybenzohydrazide
CID 7784836
N-(4-chloro-2-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 7961385
2-(2-chlorophenoxy)-N'-[2-[(2-chlorophenyl)methylsulfanyl]acetyl]acetohydrazide
CID 9321185
2-[(3-chlorophenyl)methylsulfanyl]-N',N'-dimethylacetohydrazide
CID 9179466
N-(5-chloro-2-hydroxyphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 56581526

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide?
The IUPAC name of N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide (CID 9471896) is N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide.
What is the SMILES notation for N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide?
The canonical SMILES for N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide is O=C(COc1ccccc1F)NNC(=O)CSCc1cccc(Cl)c1.
What is the InChIKey of N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide?
The InChIKey is RSHKGVATGWHOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c18-13-5-3-4-12(8-13)10-25-11-17(23)21-20-16(22)9-24-15-7-2-1-6-14(15)19/h1-8H,9-11H2,(H,20,22)(H,21,23).
What are the key properties of N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide?
N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide has a molecular weight of 382.84 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-2-(2-fluorophenoxy)acetohydrazide is sourced from PubChem (CID 9471896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).