4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide

C14H9Br2ClN2OS — CID 107789911

IUPAC4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide
SMILESNC(=S)c1ccc(NC(=O)c2ccc(Br)cc2Cl)c(Br)c1
InChIInChI=1S/C14H9Br2ClN2OS/c15-8-2-3-9(11(17)6-8)14(20)19-12-4-1-7(13(18)21)5-10(12)16/h1-6H,(H2,18,21)(H,19,20)
InChIKeyVDUOJRWUFJMOLG-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.75
Rot. Bonds3

About 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide

4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide (PubChem CID 107789911) has the molecular formula C14H9Br2ClN2OS and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide
PubChem CID107789911
Molecular FormulaC14H9Br2ClN2OS
Molecular Weight448.57 g/mol
Exact Mass445.85
IUPAC Name4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide
SMILESNC(=S)c1ccc(NC(=O)c2ccc(Br)cc2Cl)c(Br)c1
InChIInChI=1S/C14H9Br2ClN2OS/c15-8-2-3-9(11(17)6-8)14(20)19-12-4-1-7(13(18)21)5-10(12)16/h1-6H,(H2,18,21)(H,19,20)
InChIKeyVDUOJRWUFJMOLG-UHFFFAOYSA-N
XLogP4.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.75
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

4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide
CID 107789542
N-(4-bromo-2-carbamothioylphenyl)-2,4-dichlorobenzamide
CID 82695357
3-bromo-N-(2-bromo-4-carbamothioylphenyl)benzamide
CID 107789578
N-(2-bromo-4-carbamothioylphenyl)-2-chloro-3-fluorobenzamide
CID 107789965
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-5-iodobenzamide
CID 107789533
N-(2-bromo-4-carbamothioylphenyl)-5-chlorothiophene-2-carboxamide
CID 107789645
4-[(4-bromo-2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190056
4-bromo-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 47299820
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzamide
CID 81271772
N-(2-bromo-4-carbamothioylphenyl)-2-hydroxy-3-methylbenzamide
CID 107789633
4-[(2-amino-4-bromobenzoyl)amino]-3-bromobenzoic acid
CID 79705701

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide?
The IUPAC name of 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide (CID 107789911) is 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide.
What is the SMILES notation for 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide?
The canonical SMILES for 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide is NC(=S)c1ccc(NC(=O)c2ccc(Br)cc2Cl)c(Br)c1.
What is the InChIKey of 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide?
The InChIKey is VDUOJRWUFJMOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2ClN2OS/c15-8-2-3-9(11(17)6-8)14(20)19-12-4-1-7(13(18)21)5-10(12)16/h1-6H,(H2,18,21)(H,19,20).
What are the key properties of 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide?
4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide has a molecular weight of 448.57 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide is sourced from PubChem (CID 107789911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).