N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide

C19H14ClFN2O2S — CID 2093520

IUPACN'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NNC(=O)c1ccccc1F
InChIInChI=1S/C19H14ClFN2O2S/c20-14-8-3-5-12-6-4-10-16(18(12)14)26-11-17(24)22-23-19(25)13-7-1-2-9-15(13)21/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyXFIZZOCSNGGWDR-UHFFFAOYSA-N
MW388.85 g/mol
LogP4.19
Rot. Bonds4

About N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide

N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide (PubChem CID 2093520) has the molecular formula C19H14ClFN2O2S and a molecular weight of 388.85 g/mol. Its IUPAC name is N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide
PubChem CID2093520
Molecular FormulaC19H14ClFN2O2S
Molecular Weight388.85 g/mol
Exact Mass388.04
IUPAC NameN'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NNC(=O)c1ccccc1F
InChIInChI=1S/C19H14ClFN2O2S/c20-14-8-3-5-12-6-4-10-16(18(12)14)26-11-17(24)22-23-19(25)13-7-1-2-9-15(13)21/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyXFIZZOCSNGGWDR-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 54.19
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

5-chloro-2-fluoro-N'-[2-(2-fluorophenyl)sulfanylacetyl]benzohydrazide
CID 9091331
N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide
CID 9477026
N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]pyrazine-2-carbohydrazide
CID 34438852
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2,3,4-trifluorophenyl)acetamide
CID 4531318
2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
N-[2-[2-[2-(2,5-dichlorophenyl)sulfanylacetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 24641164
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2679594
N'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide
CID 9401840
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 35930552
2-chloro-N'-[2-(2-fluorophenyl)sulfanylacetyl]-5-nitrobenzohydrazide
CID 9417975
N-(1-amino-2-methylpropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 119521795
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-oxochromene-3-carbohydrazide
CID 7969966

Frequently Asked Questions

What is the IUPAC name of N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide (CID 2093520) is N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide is O=C(CSc1cccc2cccc(Cl)c12)NNC(=O)c1ccccc1F.
What is the InChIKey of N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide?
The InChIKey is XFIZZOCSNGGWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O2S/c20-14-8-3-5-12-6-4-10-16(18(12)14)26-11-17(24)22-23-19(25)13-7-1-2-9-15(13)21/h1-10H,11H2,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide?
N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide has a molecular weight of 388.85 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 2093520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).