2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)acetamide

C14H12ClFN2OS — CID 79149369

IUPAC2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2cccc(F)c2)cc1Cl
InChIInChI=1S/C14H12ClFN2OS/c15-12-7-11(4-5-13(12)17)20-8-14(19)18-10-3-1-2-9(16)6-10/h1-7H,8,17H2,(H,18,19)
InChIKeyISNCLZXPRZOAFH-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.79
Rot. Bonds4

About 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)acetamide

2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)acetamide (PubChem CID 79149369) has the molecular formula C14H12ClFN2OS and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)acetamide
PubChem CID79149369
Molecular FormulaC14H12ClFN2OS
Molecular Weight310.78 g/mol
Exact Mass310.03
IUPAC Name2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2cccc(F)c2)cc1Cl
InChIInChI=1S/C14H12ClFN2OS/c15-12-7-11(4-5-13(12)17)20-8-14(19)18-10-3-1-2-9(16)6-10/h1-7H,8,17H2,(H,18,19)
InChIKeyISNCLZXPRZOAFH-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)acetamide (CID 79149369) is 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)acetamide is Nc1ccc(SCC(=O)Nc2cccc(F)c2)cc1Cl.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)acetamide?
The InChIKey is ISNCLZXPRZOAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2OS/c15-12-7-11(4-5-13(12)17)20-8-14(19)18-10-3-1-2-9(16)6-10/h1-7H,8,17H2,(H,18,19).
What are the key properties of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)acetamide?
2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)acetamide has a molecular weight of 310.78 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 79149369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).