2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide

C13H8Cl3N3OS — CID 2134804

IUPAC2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1cccnc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl3N3OS/c14-7-3-4-8(9(15)6-7)12(20)19-13(21)18-10-2-1-5-17-11(10)16/h1-6H,(H2,18,19,20,21)
InChIKeyVIMPNQBLOMBOIZ-UHFFFAOYSA-N
MW360.65 g/mol
LogP4.17
Rot. Bonds2

About 2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide

2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide (PubChem CID 2134804) has the molecular formula C13H8Cl3N3OS and a molecular weight of 360.65 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
PubChem CID2134804
Molecular FormulaC13H8Cl3N3OS
Molecular Weight360.65 g/mol
Exact Mass358.95
IUPAC Name2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1cccnc1Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl3N3OS/c14-7-3-4-8(9(15)6-7)12(20)19-13(21)18-10-2-1-5-17-11(10)16/h1-6H,(H2,18,19,20,21)
InChIKeyVIMPNQBLOMBOIZ-UHFFFAOYSA-N
XLogP4.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.65
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(2-chloro-3-pyridinyl)benzamide
CID 3454315
N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 139076926
2,4-dichloro-N-[(2-ethoxyphenyl)carbamothioyl]benzamide
CID 1226903
4-tert-butyl-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide
CID 768730
4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide
CID 103721934
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
2-chloro-N-(pyrimidin-2-ylcarbamothioyl)pyridine-3-carboxamide
CID 53349684
3-chloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]-4-ethoxybenzamide
CID 17313677
2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide
CID 1342825
1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea
CID 13329340
2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide
CID 4942210
2-bromo-5-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 113235199

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide (CID 2134804) is 2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1cccnc1Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide?
The InChIKey is VIMPNQBLOMBOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3N3OS/c14-7-3-4-8(9(15)6-7)12(20)19-13(21)18-10-2-1-5-17-11(10)16/h1-6H,(H2,18,19,20,21).
What are the key properties of 2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide?
2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide has a molecular weight of 360.65 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(2-chloro-3-pyridinyl)carbamothioyl]benzamide is sourced from PubChem (CID 2134804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).