N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide

C14H10Cl2N2OS — CID 28538198

IUPACN-(2-carbamothioylphenyl)-2,5-dichlorobenzamide
SMILESNC(=S)c1ccccc1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2N2OS/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)
InChIKeyIWVZBHIOVPMUGR-UHFFFAOYSA-N
MW325.22 g/mol
LogP3.88
Rot. Bonds3

About N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide

N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide (PubChem CID 28538198) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-2,5-dichlorobenzamide
PubChem CID28538198
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC NameN-(2-carbamothioylphenyl)-2,5-dichlorobenzamide
SMILESNC(=S)c1ccccc1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2N2OS/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)
InChIKeyIWVZBHIOVPMUGR-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 53.88
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

5-bromo-N-(2-carbamothioylphenyl)-2-chlorobenzamide
CID 43378988
N-(2-acetylphenyl)-2,5-dichlorobenzamide
CID 26067712
N-(2-carbamothioylphenyl)-2-hydroxybenzamide
CID 24692803
5-amino-N-(2-carbamoylphenyl)-2-chlorobenzamide
CID 28723008
N-(2-carbamothioylphenyl)-3,4-difluorobenzamide
CID 24701990
N-(2-carbamothioyl-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 64915208
2,5-dichloro-N-naphthalen-1-ylbenzamide
CID 2166526
2,5-dichloro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61497828
N-(2-carbamothioyl-4-fluorophenyl)-2-chlorobenzamide
CID 82016442
2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 966223
2,5-dichloro-N-[2-(dimethylamino)phenyl]benzamide
CID 30886701
N-(2-carbamothioylphenyl)pyridine-2-carboxamide
CID 24701542

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide?
The IUPAC name of N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide (CID 28538198) is N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide is NC(=S)c1ccccc1NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide?
The InChIKey is IWVZBHIOVPMUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/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 N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide?
N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide has a molecular weight of 325.22 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-2,5-dichlorobenzamide is sourced from PubChem (CID 28538198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).