2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide

C14H11Br2FN2OS — CID 79126805

IUPAC2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide
SMILESNc1ccc(F)cc1SCC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br2FN2OS/c15-8-1-4-12(10(16)5-8)19-14(20)7-21-13-6-9(17)2-3-11(13)18/h1-6H,7,18H2,(H,19,20)
InChIKeyQZYBHASEKJKKCM-UHFFFAOYSA-N
MW434.13 g/mol
LogP4.66
Rot. Bonds4

About 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide

2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide (PubChem CID 79126805) has the molecular formula C14H11Br2FN2OS and a molecular weight of 434.13 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide
PubChem CID79126805
Molecular FormulaC14H11Br2FN2OS
Molecular Weight434.13 g/mol
Exact Mass431.89
IUPAC Name2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide
SMILESNc1ccc(F)cc1SCC(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br2FN2OS/c15-8-1-4-12(10(16)5-8)19-14(20)7-21-13-6-9(17)2-3-11(13)18/h1-6H,7,18H2,(H,19,20)
InChIKeyQZYBHASEKJKKCM-UHFFFAOYSA-N
XLogP4.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.13
LogP ≤ 54.66
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-(2-bromo-4-methylphenyl)acetamide
CID 79519578
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 79533282
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
2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79533619
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 79143132
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 79127543
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79126482
2-(2-amino-4-bromophenyl)sulfanyl-N-(4-chloro-2-fluorophenyl)acetamide
CID 43305964
2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 79519414

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide?
The IUPAC name of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide (CID 79126805) is 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide?
The canonical SMILES for 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide is Nc1ccc(F)cc1SCC(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide?
The InChIKey is QZYBHASEKJKKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2FN2OS/c15-8-1-4-12(10(16)5-8)19-14(20)7-21-13-6-9(17)2-3-11(13)18/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide?
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide has a molecular weight of 434.13 g/mol, XLogP of 4.66, 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-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide is sourced from PubChem (CID 79126805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).