N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide

C17H14Cl2FN3O3S — CID 24641164

IUPACN-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)NNC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2FN3O3S/c18-10-5-6-12(19)14(7-10)27-9-16(25)23-22-15(24)8-21-17(26)11-3-1-2-4-13(11)20/h1-7H,8-9H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyFKYLYQWTEHZDMR-UHFFFAOYSA-N
MW430.29 g/mol
LogP2.80
Rot. Bonds6

About N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide

N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 24641164) has the molecular formula C17H14Cl2FN3O3S and a molecular weight of 430.29 g/mol. Its IUPAC name is N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
PubChem CID24641164
Molecular FormulaC17H14Cl2FN3O3S
Molecular Weight430.29 g/mol
Exact Mass429.01
IUPAC NameN-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)NNC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H14Cl2FN3O3S/c18-10-5-6-12(19)14(7-10)27-9-16(25)23-22-15(24)8-21-17(26)11-3-1-2-4-13(11)20/h1-7H,8-9H2,(H,21,26)(H,22,24)(H,23,25)
InChIKeyFKYLYQWTEHZDMR-UHFFFAOYSA-N
XLogP2.80
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.29
LogP ≤ 52.80
H-Bond Donors ≤ 53
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-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 35930552
2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone
CID 43414111
N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7969663
5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
N-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9441430
N-[2-[2-(2,5-dichlorophenyl)sulfanylpropanoylamino]ethyl]-2-fluorobenzamide
CID 55974574
2-chloro-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]-5-methylsulfanylbenzohydrazide
CID 24641126
2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2536490
N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide
CID 2093520
2-(4-chlorophenyl)-N'-[2-(2,5-dichlorophenyl)sulfanylacetyl]acetohydrazide
CID 7969708
2-fluoro-N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]benzamide
CID 24637562
N-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 4845951

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide (CID 24641164) is N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide is O=C(CNC(=O)c1ccccc1F)NNC(=O)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is FKYLYQWTEHZDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FN3O3S/c18-10-5-6-12(19)14(7-10)27-9-16(25)23-22-15(24)8-21-17(26)11-3-1-2-4-13(11)20/h1-7H,8-9H2,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 430.29 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 24641164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).