N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide

C16H13BrCl2N2O2S — CID 19167851

IUPACN-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCc1ccc(NC(=S)NC(=O)COc2ccc(Cl)cc2Cl)c(Br)c1
InChIInChI=1S/C16H13BrCl2N2O2S/c1-9-2-4-13(11(17)6-9)20-16(24)21-15(22)8-23-14-5-3-10(18)7-12(14)19/h2-7H,8H2,1H3,(H2,20,21,22,24)
InChIKeyRFPOKBQFCXBJFB-UHFFFAOYSA-N
MW448.17 g/mol
LogP4.96
Rot. Bonds4

About N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide

N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 19167851) has the molecular formula C16H13BrCl2N2O2S and a molecular weight of 448.17 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID19167851
Molecular FormulaC16H13BrCl2N2O2S
Molecular Weight448.17 g/mol
Exact Mass445.93
IUPAC NameN-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCc1ccc(NC(=S)NC(=O)COc2ccc(Cl)cc2Cl)c(Br)c1
InChIInChI=1S/C16H13BrCl2N2O2S/c1-9-2-4-13(11(17)6-9)20-16(24)21-15(22)8-23-14-5-3-10(18)7-12(14)19/h2-7H,8H2,1H3,(H2,20,21,22,24)
InChIKeyRFPOKBQFCXBJFB-UHFFFAOYSA-N
XLogP4.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.17
LogP ≤ 54.96
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

N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 1188241
N-[(4-chloro-2-methylphenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 19188042
N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide
CID 5241257
2-(4-bromo-2-chlorophenoxy)-N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3289773
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 19167845
2-(2,4-dichlorophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2500686
2-[[2-(2-bromo-4-methylphenoxy)acetyl]carbamothioylamino]benzamide
CID 3291331
N-[(4-acetamidophenyl)carbamothioyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 3288534
2-(2,4-dichlorophenoxy)-N-(phenylcarbamothioyl)acetamide
CID 4630939
2-(2-bromo-4-methylphenoxy)-N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4504422
2-(2,4-dibromo-6-methylphenoxy)-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
CID 3382314
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)carbamothioyl]acetamide
CID 3288695

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide (CID 19167851) is N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide is Cc1ccc(NC(=S)NC(=O)COc2ccc(Cl)cc2Cl)c(Br)c1.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is RFPOKBQFCXBJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2N2O2S/c1-9-2-4-13(11(17)6-9)20-16(24)21-15(22)8-23-14-5-3-10(18)7-12(14)19/h2-7H,8H2,1H3,(H2,20,21,22,24).
What are the key properties of N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 448.17 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 19167851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).