N-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide

C15H12BrFN2OS — CID 107600467

IUPACN-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide
SMILESNC(=S)c1ccc(CC(=O)Nc2c(F)cccc2Br)cc1
InChIInChI=1S/C15H12BrFN2OS/c16-11-2-1-3-12(17)14(11)19-13(20)8-9-4-6-10(7-5-9)15(18)21/h1-7H,8H2,(H2,18,21)(H,19,20)
InChIKeyGTTJMYRNDBHWJE-UHFFFAOYSA-N
MW367.24 g/mol
LogP3.40
Rot. Bonds4

About N-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide

N-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide (PubChem CID 107600467) has the molecular formula C15H12BrFN2OS and a molecular weight of 367.24 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide
PubChem CID107600467
Molecular FormulaC15H12BrFN2OS
Molecular Weight367.24 g/mol
Exact Mass365.98
IUPAC NameN-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide
SMILESNC(=S)c1ccc(CC(=O)Nc2c(F)cccc2Br)cc1
InChIInChI=1S/C15H12BrFN2OS/c16-11-2-1-3-12(17)14(11)19-13(20)8-9-4-6-10(7-5-9)15(18)21/h1-7H,8H2,(H2,18,21)(H,19,20)
InChIKeyGTTJMYRNDBHWJE-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107604233
2-bromo-N-[(4-carbamothioylphenyl)methyl]-6-fluorobenzamide
CID 114559257
N-(2-bromo-6-fluorophenyl)-4-fluorobenzamide
CID 103741284
N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide
CID 81268674
5-amino-N-(2-bromo-6-fluorophenyl)pentanamide
CID 107599895
2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide
CID 63591399
N-(2-amino-2-sulfanylideneethyl)-N'-(2-bromo-6-fluorophenyl)oxamide
CID 107600457
3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide
CID 107599929
3-(2-aminophenyl)-N-(2-bromo-6-fluorophenyl)propanamide
CID 107599852
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
3-fluoro-2-[[2-(4-fluorophenyl)acetyl]amino]benzoic acid
CID 81497920
2-(4-carbamothioylphenyl)-N-(3-chlorophenyl)acetamide
CID 63589612

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide (CID 107600467) is N-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide is NC(=S)c1ccc(CC(=O)Nc2c(F)cccc2Br)cc1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide?
The InChIKey is GTTJMYRNDBHWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2OS/c16-11-2-1-3-12(17)14(11)19-13(20)8-9-4-6-10(7-5-9)15(18)21/h1-7H,8H2,(H2,18,21)(H,19,20).
What are the key properties of N-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide?
N-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide has a molecular weight of 367.24 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide is sourced from PubChem (CID 107600467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).