N-(3-fluoro-4-nitrophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide

C18H13FN2O4S — CID 156858951

IUPACN-(3-fluoro-4-nitrophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NSc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C18H13FN2O4S/c19-16-10-15(7-8-17(16)21(23)24)26-20-18(22)11-25-14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2,(H,20,22)
InChIKeyCOOFUWHIWQNIEP-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.09
Rot. Bonds6

About N-(3-fluoro-4-nitrophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide

N-(3-fluoro-4-nitrophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide (PubChem CID 156858951) has the molecular formula C18H13FN2O4S and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(3-fluoro-4-nitrophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-nitrophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide
PubChem CID156858951
Molecular FormulaC18H13FN2O4S
Molecular Weight372.38 g/mol
Exact Mass372.06
IUPAC NameN-(3-fluoro-4-nitrophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)NSc1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C18H13FN2O4S/c19-16-10-15(7-8-17(16)21(23)24)26-20-18(22)11-25-14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2,(H,20,22)
InChIKeyCOOFUWHIWQNIEP-UHFFFAOYSA-N
XLogP4.09
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-nitrophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(3-fluoro-4-nitrophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide (CID 156858951) is N-(3-fluoro-4-nitrophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(3-fluoro-4-nitrophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(3-fluoro-4-nitrophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)NSc1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of N-(3-fluoro-4-nitrophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide?
The InChIKey is COOFUWHIWQNIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O4S/c19-16-10-15(7-8-17(16)21(23)24)26-20-18(22)11-25-14-6-5-12-3-1-2-4-13(12)9-14/h1-10H,11H2,(H,20,22).
What are the key properties of N-(3-fluoro-4-nitrophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide?
N-(3-fluoro-4-nitrophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide has a molecular weight of 372.38 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-nitrophenyl)sulfanyl-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 156858951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).