N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide

C15H12BrClN2OS — CID 81268674

IUPACN-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide
SMILESNC(=S)c1ccc(CC(=O)Nc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C15H12BrClN2OS/c16-12-6-5-11(17)8-13(12)19-14(20)7-9-1-3-10(4-2-9)15(18)21/h1-6,8H,7H2,(H2,18,21)(H,19,20)
InChIKeyREKJOFIOPFYJAQ-UHFFFAOYSA-N
MW383.70 g/mol
LogP3.92
Rot. Bonds4

About N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide

N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide (PubChem CID 81268674) has the molecular formula C15H12BrClN2OS and a molecular weight of 383.70 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide
PubChem CID81268674
Molecular FormulaC15H12BrClN2OS
Molecular Weight383.70 g/mol
Exact Mass381.95
IUPAC NameN-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide
SMILESNC(=S)c1ccc(CC(=O)Nc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C15H12BrClN2OS/c16-12-6-5-11(17)8-13(12)19-14(20)7-9-1-3-10(4-2-9)15(18)21/h1-6,8H,7H2,(H2,18,21)(H,19,20)
InChIKeyREKJOFIOPFYJAQ-UHFFFAOYSA-N
XLogP3.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.70
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-chlorophenyl)-4-carbamothioylbenzamide
CID 81270417
2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide
CID 107626033
2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide
CID 63591399
2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide
CID 63589612
N-(2-bromo-5-chlorophenyl)-5-carbamothioylpyridine-2-carboxamide
CID 81271163
2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide
CID 63590322
N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309826
N-(2-bromo-5-chlorophenyl)-2-cyanoacetamide
CID 81270486
N-(2-bromo-5-chlorophenyl)-3-chloropropanamide
CID 81263666
2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 63589257
N-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide
CID 107600467
4-chloro-3-[[2-(4-chlorophenyl)acetyl]amino]benzamide
CID 50875886

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide (CID 81268674) is N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide is NC(=S)c1ccc(CC(=O)Nc2cc(Cl)ccc2Br)cc1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide?
The InChIKey is REKJOFIOPFYJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2OS/c16-12-6-5-11(17)8-13(12)19-14(20)7-9-1-3-10(4-2-9)15(18)21/h1-6,8H,7H2,(H2,18,21)(H,19,20).
What are the key properties of N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide?
N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide has a molecular weight of 383.70 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide is sourced from PubChem (CID 81268674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).