2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide

C15H11BrCl2N2O2S — CID 3342562

IUPAC2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11BrCl2N2O2S/c16-9-1-4-11(5-2-9)22-8-14(21)20-15(23)19-10-3-6-12(17)13(18)7-10/h1-7H,8H2,(H2,19,20,21,23)
InChIKeyWIDLACBLCRUTKD-UHFFFAOYSA-N
MW434.14 g/mol
LogP4.65
Rot. Bonds4

About 2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide

2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide (PubChem CID 3342562) has the molecular formula C15H11BrCl2N2O2S and a molecular weight of 434.14 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide
PubChem CID3342562
Molecular FormulaC15H11BrCl2N2O2S
Molecular Weight434.14 g/mol
Exact Mass431.91
IUPAC Name2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H11BrCl2N2O2S/c16-9-1-4-11(5-2-9)22-8-14(21)20-15(23)19-10-3-6-12(17)13(18)7-10/h1-7H,8H2,(H2,19,20,21,23)
InChIKeyWIDLACBLCRUTKD-UHFFFAOYSA-N
XLogP4.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.14
LogP ≤ 54.65
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-[(4-acetamidophenyl)carbamothioyl]-2-(4-bromophenoxy)acetamide
CID 1016462
2-(4-bromophenoxy)-N-[(4-cyanophenyl)carbamothioyl]acetamide
CID 3340919
N-[(4-bromophenyl)carbamothioyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1016495
2-(4-bromophenoxy)-N-[(3-cyanophenyl)carbamothioyl]acetamide
CID 3342561
N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-2-(4-bromophenoxy)acetamide
CID 4154481
2-(4-acetamidophenoxy)-N-(3,4-dichlorophenyl)acetamide
CID 1296256
N-[(3,4-dichlorophenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188389
2-(4-bromophenoxy)-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]acetamide
CID 3344248
N-[(4-ethoxyphenyl)carbamothioyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 18525661
4-(4-tert-butylphenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]butanamide
CID 19188720
2-chloro-5-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]benzoic acid
CID 4507063
N-[(3,5-dichlorophenyl)carbamothioyl]-2-phenoxyacetamide
CID 1014402

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide (CID 3342562) is 2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide is O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide?
The InChIKey is WIDLACBLCRUTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2O2S/c16-9-1-4-11(5-2-9)22-8-14(21)20-15(23)19-10-3-6-12(17)13(18)7-10/h1-7H,8H2,(H2,19,20,21,23).
What are the key properties of 2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide?
2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide has a molecular weight of 434.14 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(3,4-dichlorophenyl)carbamothioyl]acetamide is sourced from PubChem (CID 3342562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).