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

C14H10BrClN2OS — CID 43378988

IUPAC5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide
SMILESNC(=S)c1ccccc1NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H10BrClN2OS/c15-8-5-6-11(16)10(7-8)14(19)18-12-4-2-1-3-9(12)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyYJRCPCUIDJAFOK-UHFFFAOYSA-N
MW369.67 g/mol
LogP3.99
Rot. Bonds3

About 5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide

5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide (PubChem CID 43378988) has the molecular formula C14H10BrClN2OS and a molecular weight of 369.67 g/mol. Its IUPAC name is 5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide.

Molecular Properties

Compound Name5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide
PubChem CID43378988
Molecular FormulaC14H10BrClN2OS
Molecular Weight369.67 g/mol
Exact Mass367.94
IUPAC Name5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide
SMILESNC(=S)c1ccccc1NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C14H10BrClN2OS/c15-8-5-6-11(16)10(7-8)14(19)18-12-4-2-1-3-9(12)13(17)20/h1-7H,(H2,17,20)(H,18,19)
InChIKeyYJRCPCUIDJAFOK-UHFFFAOYSA-N
XLogP3.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.67
LogP ≤ 53.99
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

2,5-dibromo-N-(2-carbamothioylphenyl)benzamide
CID 114369521
N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide
CID 28538198
N-(4-bromo-2-carbamothioylphenyl)-2,4-dichlorobenzamide
CID 82695357
N-(4-bromo-2-carbamothioylphenyl)benzamide
CID 82703506
N-(5-bromo-2-carbamothioylphenyl)-2-fluorobenzamide
CID 107798721
5-bromo-N-(2-bromo-3-chlorophenyl)-2-chlorobenzamide
CID 103479655
5-bromo-N-(2-carbamoylphenyl)-2-methylbenzamide
CID 65311671
5-bromo-2-chloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298302
5-bromo-2-chloro-N'-(2-chlorobenzoyl)benzohydrazide
CID 35929301
N-(2-carbamothioylphenyl)-2-hydroxybenzamide
CID 24692803
5-amino-N-(2-carbamoylphenyl)-2-chlorobenzamide
CID 28723008
N-(5-bromo-2-carbamothioylphenyl)-2-chloro-3-methylbenzamide
CID 107798763

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide?
The IUPAC name of 5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide (CID 43378988) is 5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide.
What is the SMILES notation for 5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide?
The canonical SMILES for 5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide is NC(=S)c1ccccc1NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide?
The InChIKey is YJRCPCUIDJAFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2OS/c15-8-5-6-11(16)10(7-8)14(19)18-12-4-2-1-3-9(12)13(17)20/h1-7H,(H2,17,20)(H,18,19).
What are the key properties of 5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide?
5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide has a molecular weight of 369.67 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide is sourced from PubChem (CID 43378988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).