N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide

C14H11F3N2OS — CID 43519004

IUPACN-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
SMILESNc1cc(F)ccc1NC(=O)CSc1cc(F)ccc1F
InChIInChI=1S/C14H11F3N2OS/c15-8-2-4-12(11(18)5-8)19-14(20)7-21-13-6-9(16)1-3-10(13)17/h1-6H,7,18H2,(H,19,20)
InChIKeyOBOJRKORYWEENW-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.42
Rot. Bonds4

About N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide

N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide (PubChem CID 43519004) has the molecular formula C14H11F3N2OS and a molecular weight of 312.32 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
PubChem CID43519004
Molecular FormulaC14H11F3N2OS
Molecular Weight312.32 g/mol
Exact Mass312.05
IUPAC NameN-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
SMILESNc1cc(F)ccc1NC(=O)CSc1cc(F)ccc1F
InChIInChI=1S/C14H11F3N2OS/c15-8-2-4-12(11(18)5-8)19-14(20)7-21-13-6-9(16)1-3-10(13)17/h1-6H,7,18H2,(H,19,20)
InChIKeyOBOJRKORYWEENW-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-(2,5-difluorophenyl)acetamide
CID 43249156
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-chloro-2-methylphenyl)acetamide
CID 43304145
N-(2-aminophenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 43345463
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29278790
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 79126805
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(2,5-difluorophenyl)acetamide
CID 43299886
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79128006
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
CID 43304005
N-(2-amino-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)sulfanylacetamide
CID 61384650
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-benzylphenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9045802

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide (CID 43519004) is N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide is Nc1cc(F)ccc1NC(=O)CSc1cc(F)ccc1F.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide?
The InChIKey is OBOJRKORYWEENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2OS/c15-8-2-4-12(11(18)5-8)19-14(20)7-21-13-6-9(16)1-3-10(13)17/h1-6H,7,18H2,(H,19,20).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide?
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide has a molecular weight of 312.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 43519004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).