N-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide

C14H11BrCl2N2OS — CID 62803542

IUPACN-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CSc1cccc(Br)c1
InChIInChI=1S/C14H11BrCl2N2OS/c15-8-2-1-3-10(4-8)21-7-13(20)19-14-11(17)5-9(16)6-12(14)18/h1-6H,7,18H2,(H,19,20)
InChIKeyTXEARFBLGWINTK-UHFFFAOYSA-N
MW406.13 g/mol
LogP5.07
Rot. Bonds4

About N-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide

N-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide (PubChem CID 62803542) has the molecular formula C14H11BrCl2N2OS and a molecular weight of 406.13 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide
PubChem CID62803542
Molecular FormulaC14H11BrCl2N2OS
Molecular Weight406.13 g/mol
Exact Mass403.92
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CSc1cccc(Br)c1
InChIInChI=1S/C14H11BrCl2N2OS/c15-8-2-1-3-10(4-8)21-7-13(20)19-14-11(17)5-9(16)6-12(14)18/h1-6H,7,18H2,(H,19,20)
InChIKeyTXEARFBLGWINTK-UHFFFAOYSA-N
XLogP5.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.13
LogP ≤ 55.07
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-(3-methylphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 60594383
N-(2-aminophenyl)-2-(3-bromophenyl)sulfanylacetamide
CID 55119815
N-(2-amino-4,6-dichlorophenyl)-2-(5-bromo-2-oxo-1-pyridinyl)acetamide
CID 28552043
N-(2-amino-4-methoxyphenyl)-2-(3-bromophenyl)sulfanylacetamide
CID 62803715
2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43251034
methyl 2-[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]sulfanylacetate
CID 43617977
2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79128316
N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide
CID 963352
2-(4-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43299333
N-(2-amino-4,6-dichlorophenyl)-2-(3-methylbutylsulfanyl)acetamide
CID 107749089
2-(2-hydroxyphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 62000709
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide (CID 62803542) is N-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide is Nc1cc(Cl)cc(Cl)c1NC(=O)CSc1cccc(Br)c1.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide?
The InChIKey is TXEARFBLGWINTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2OS/c15-8-2-1-3-10(4-8)21-7-13(20)19-14-11(17)5-9(16)6-12(14)18/h1-6H,7,18H2,(H,19,20).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide?
N-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide has a molecular weight of 406.13 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-2-(3-bromophenyl)sulfanylacetamide is sourced from PubChem (CID 62803542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).