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

C15H12BrClN2OS — CID 107789853

IUPACN-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide
SMILESNC(=S)c1ccc(NC(=O)Cc2ccccc2Cl)c(Br)c1
InChIInChI=1S/C15H12BrClN2OS/c16-11-7-10(15(18)21)5-6-13(11)19-14(20)8-9-3-1-2-4-12(9)17/h1-7H,8H2,(H2,18,21)(H,19,20)
InChIKeyRKZPMQYZNFABLM-UHFFFAOYSA-N
MW383.70 g/mol
LogP3.92
Rot. Bonds4

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

N-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide (PubChem CID 107789853) has the molecular formula C15H12BrClN2OS and a molecular weight of 383.70 g/mol. Its IUPAC name is N-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide
PubChem CID107789853
Molecular FormulaC15H12BrClN2OS
Molecular Weight383.70 g/mol
Exact Mass381.95
IUPAC NameN-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide
SMILESNC(=S)c1ccc(NC(=O)Cc2ccccc2Cl)c(Br)c1
InChIInChI=1S/C15H12BrClN2OS/c16-11-7-10(15(18)21)5-6-13(11)19-14(20)8-9-3-1-2-4-12(9)17/h1-7H,8H2,(H2,18,21)(H,19,20)
InChIKeyRKZPMQYZNFABLM-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-(5-carbamothioyl-2-methylphenyl)-2-(2-chlorophenyl)acetamide
CID 62103714
N-(2-bromo-4-carbamothioylphenyl)propanamide
CID 107789663
N-(2-bromo-4-carbamothioylphenyl)-3-phenylpropanamide
CID 107789510
2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide
CID 63591399
2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide
CID 63590322
3-amino-4-[[2-(2-chlorophenyl)acetyl]amino]benzoic acid
CID 63117383
N-(4-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 18069719
4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide
CID 107789911
N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide
CID 81268674
N-(5-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 43548799
(4-carbamothioyl-2-chlorophenyl)urea
CID 107808654
3-bromo-N-(2-bromo-4-carbamothioylphenyl)benzamide
CID 107789578

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide?
The IUPAC name of N-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide (CID 107789853) is N-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide.
What is the SMILES notation for N-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide?
The canonical SMILES for N-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide is NC(=S)c1ccc(NC(=O)Cc2ccccc2Cl)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide?
The InChIKey is RKZPMQYZNFABLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2OS/c16-11-7-10(15(18)21)5-6-13(11)19-14(20)8-9-3-1-2-4-12(9)17/h1-7H,8H2,(H2,18,21)(H,19,20).
What are the key properties of N-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide?
N-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)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-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide is sourced from PubChem (CID 107789853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).