2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide

C14H11BrCl2N2OS — CID 82838705

IUPAC2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1
InChIInChI=1S/C14H11BrCl2N2OS/c15-10-5-8(18)1-4-13(10)21-7-14(20)19-9-2-3-11(16)12(17)6-9/h1-6H,7,18H2,(H,19,20)
InChIKeyGBOYOOLCDWNCDY-UHFFFAOYSA-N
MW406.13 g/mol
LogP5.07
Rot. Bonds4

About 2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide

2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide (PubChem CID 82838705) has the molecular formula C14H11BrCl2N2OS and a molecular weight of 406.13 g/mol. Its IUPAC name is 2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
PubChem CID82838705
Molecular FormulaC14H11BrCl2N2OS
Molecular Weight406.13 g/mol
Exact Mass403.92
IUPAC Name2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
SMILESNc1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1
InChIInChI=1S/C14H11BrCl2N2OS/c15-10-5-8(18)1-4-13(10)21-7-14(20)19-9-2-3-11(16)12(17)6-9/h1-6H,7,18H2,(H,19,20)
InChIKeyGBOYOOLCDWNCDY-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-(4-amino-2-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 43303534
2-(4-amino-2-bromophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 82838713
2-(5-amino-2-chlorophenyl)sulfanyl-N-(3,4-difluorophenyl)acetamide
CID 79128069
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 82841973
2-(2-amino-5-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79126902
2-[[4,6-bis[[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 110184146
2-(4-amino-2-chlorophenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 43305569
2-(4-amino-2-bromophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 82838734
2-(4-amino-3-methylphenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79128491
2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 1211554
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
2-(4-amino-2-bromophenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 82840597

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide (CID 82838705) is 2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide is Nc1ccc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1.
What is the InChIKey of 2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is GBOYOOLCDWNCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2OS/c15-10-5-8(18)1-4-13(10)21-7-14(20)19-9-2-3-11(16)12(17)6-9/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide?
2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide 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 2-(4-amino-2-bromophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 82838705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).