N'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide

C20H16F2N2O2S — CID 41264220

IUPACN'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide
SMILESO=C(CSc1ccc(F)cc1F)NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C20H16F2N2O2S/c21-15-8-9-18(17(22)11-15)27-12-20(26)24-23-19(25)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,11H,10,12H2,(H,23,25)(H,24,26)
InChIKeyKLFVQOTWLXOFIN-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.60
Rot. Bonds5

About N'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide

N'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide (PubChem CID 41264220) has the molecular formula C20H16F2N2O2S and a molecular weight of 386.42 g/mol. Its IUPAC name is N'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide
PubChem CID41264220
Molecular FormulaC20H16F2N2O2S
Molecular Weight386.42 g/mol
Exact Mass386.09
IUPAC NameN'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide
SMILESO=C(CSc1ccc(F)cc1F)NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C20H16F2N2O2S/c21-15-8-9-18(17(22)11-15)27-12-20(26)24-23-19(25)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,11H,10,12H2,(H,23,25)(H,24,26)
InChIKeyKLFVQOTWLXOFIN-UHFFFAOYSA-N
XLogP3.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.60
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

2,4-difluoro-N'-(2-naphthalen-1-ylacetyl)benzohydrazide
CID 42386169
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046111
N'-[2-(2-fluorophenyl)sulfanylacetyl]-2-naphthalen-1-yloxyacetohydrazide
CID 24641286
N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922404
N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 43345463
2-(2,4-difluorophenyl)sulfanyl-N-ethylacetamide
CID 60661743
1-(4-fluorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]thiourea
CID 9469486
N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9209761
2-(2-chloro-4-fluorophenoxy)-N'-[2-(2-fluorophenyl)sulfanylacetyl]acetohydrazide
CID 9428838
methyl 4-[[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]methyl]benzoate
CID 9046148
2-(4-chlorophenyl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 4936833
2,2,2-trifluoro-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 905420

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide?
The IUPAC name of N'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide (CID 41264220) is N'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide.
What is the SMILES notation for N'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide?
The canonical SMILES for N'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide is O=C(CSc1ccc(F)cc1F)NNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide?
The InChIKey is KLFVQOTWLXOFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2S/c21-15-8-9-18(17(22)11-15)27-12-20(26)24-23-19(25)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-9,11H,10,12H2,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide?
N'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide has a molecular weight of 386.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-difluorophenyl)sulfanylacetyl]-2-naphthalen-1-ylacetohydrazide is sourced from PubChem (CID 41264220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).