2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide

C14H12BrFN2OS — CID 79533619

IUPAC2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide
SMILESNc1ccc(Br)cc1SCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H12BrFN2OS/c15-9-4-5-12(17)13(6-9)20-8-14(19)18-11-3-1-2-10(16)7-11/h1-7H,8,17H2,(H,18,19)
InChIKeyDFFAXKCTPLVUQL-UHFFFAOYSA-N
MW355.23 g/mol
LogP3.90
Rot. Bonds4

About 2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide

2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide (PubChem CID 79533619) has the molecular formula C14H12BrFN2OS and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide
PubChem CID79533619
Molecular FormulaC14H12BrFN2OS
Molecular Weight355.23 g/mol
Exact Mass353.98
IUPAC Name2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide
SMILESNc1ccc(Br)cc1SCC(=O)Nc1cccc(F)c1
InChIInChI=1S/C14H12BrFN2OS/c15-9-4-5-12(17)13(6-9)20-8-14(19)18-11-3-1-2-10(16)7-11/h1-7H,8,17H2,(H,18,19)
InChIKeyDFFAXKCTPLVUQL-UHFFFAOYSA-N
XLogP3.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.90
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-amino-5-bromophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 79533282
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-bromophenyl)acetamide
CID 79142821
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79517250
2-(3-amino-2-methylphenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79144177
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 79126805
2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide
CID 43306161
2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 79519414
3-(2-amino-5-bromophenyl)sulfanyl-N-phenylpropanamide
CID 79533355
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 79142033
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79126482
2-[(3-bromophenyl)methylsulfanyl]-N-(3-fluorophenyl)acetamide
CID 30471958

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide (CID 79533619) is 2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide is Nc1ccc(Br)cc1SCC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide?
The InChIKey is DFFAXKCTPLVUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2OS/c15-9-4-5-12(17)13(6-9)20-8-14(19)18-11-3-1-2-10(16)7-11/h1-7H,8,17H2,(H,18,19).
What are the key properties of 2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide?
2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide has a molecular weight of 355.23 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 79533619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).