2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide

C16H12Br2Cl2N2O2S — CID 3382314

IUPAC2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Br2Cl2N2O2S/c1-8-4-9(17)5-11(18)15(8)24-7-14(23)22-16(25)21-13-3-2-10(19)6-12(13)20/h2-6H,7H2,1H3,(H2,21,22,23,25)
InChIKeyUGYRBUCYWPLATE-UHFFFAOYSA-N
MW527.07 g/mol
LogP5.72
Rot. Bonds4

About 2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide

2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide (PubChem CID 3382314) has the molecular formula C16H12Br2Cl2N2O2S and a molecular weight of 527.07 g/mol. Its IUPAC name is 2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
PubChem CID3382314
Molecular FormulaC16H12Br2Cl2N2O2S
Molecular Weight527.07 g/mol
Exact Mass523.84
IUPAC Name2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
SMILESCc1cc(Br)cc(Br)c1OCC(=O)NC(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Br2Cl2N2O2S/c1-8-4-9(17)5-11(18)15(8)24-7-14(23)22-16(25)21-13-3-2-10(19)6-12(13)20/h2-6H,7H2,1H3,(H2,21,22,23,25)
InChIKeyUGYRBUCYWPLATE-UHFFFAOYSA-N
XLogP5.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.07
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4,6-dimethylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 23909609
2-(2,4-dibromo-6-methylphenoxy)-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 3357985
N-[[[2-(4-chlorophenoxy)acetyl]amino]carbamothioyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 4509663
2-(4-chlorophenyl)-N-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4937167
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide
CID 19167851
N-(tert-butylcarbamothioyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3362713
2-(2,4-dibromo-6-methylphenoxy)-N-[[3-(hydroxymethyl)phenyl]carbamothioyl]acetamide
CID 3362727
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
4-[2-[[2-(2,4-dibromophenoxy)acetyl]carbamothioyl]hydrazinyl]-N-(2,4-dichlorophenyl)-4-oxobutanamide
CID 4505747
N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 100828344
2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 5169100
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 98128992

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide (CID 3382314) is 2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide is Cc1cc(Br)cc(Br)c1OCC(=O)NC(=S)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide?
The InChIKey is UGYRBUCYWPLATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Br2Cl2N2O2S/c1-8-4-9(17)5-11(18)15(8)24-7-14(23)22-16(25)21-13-3-2-10(19)6-12(13)20/h2-6H,7H2,1H3,(H2,21,22,23,25).
What are the key properties of 2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide?
2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide has a molecular weight of 527.07 g/mol, XLogP of 5.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide is sourced from PubChem (CID 3382314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).