N-[(2,6-dichlorophenyl)carbamothioyl]benzamide

C14H10Cl2N2OS — CID 702451

IUPACN-[(2,6-dichlorophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2N2OS/c15-10-7-4-8-11(16)12(10)17-14(20)18-13(19)9-5-2-1-3-6-9/h1-8H,(H2,17,18,19,20)
InChIKeyVNMIXZLSPNJOGL-UHFFFAOYSA-N
MW325.22 g/mol
LogP4.12
Rot. Bonds2

About N-[(2,6-dichlorophenyl)carbamothioyl]benzamide

N-[(2,6-dichlorophenyl)carbamothioyl]benzamide (PubChem CID 702451) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)carbamothioyl]benzamide
PubChem CID702451
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC NameN-[(2,6-dichlorophenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C14H10Cl2N2OS/c15-10-7-4-8-11(16)12(10)17-14(20)18-13(19)9-5-2-1-3-6-9/h1-8H,(H2,17,18,19,20)
InChIKeyVNMIXZLSPNJOGL-UHFFFAOYSA-N
XLogP4.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)carbamothioyl]benzamide?
The IUPAC name of N-[(2,6-dichlorophenyl)carbamothioyl]benzamide (CID 702451) is N-[(2,6-dichlorophenyl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(2,6-dichlorophenyl)carbamothioyl]benzamide?
The canonical SMILES for N-[(2,6-dichlorophenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)carbamothioyl]benzamide?
The InChIKey is VNMIXZLSPNJOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c15-10-7-4-8-11(16)12(10)17-14(20)18-13(19)9-5-2-1-3-6-9/h1-8H,(H2,17,18,19,20).
What are the key properties of N-[(2,6-dichlorophenyl)carbamothioyl]benzamide?
N-[(2,6-dichlorophenyl)carbamothioyl]benzamide has a molecular weight of 325.22 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)carbamothioyl]benzamide is sourced from PubChem (CID 702451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).