2,4-dichloro-N-(propan-2-ylcarbamothioyl)benzamide

C11H12Cl2N2OS — CID 974405

IUPAC2,4-dichloro-N-(propan-2-ylcarbamothioyl)benzamide
SMILESCC(C)NC(=S)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2OS/c1-6(2)14-11(17)15-10(16)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyMNXYJBFGWHOQHI-UHFFFAOYSA-N
MW291.20 g/mol
LogP3.01
Rot. Bonds2

About 2,4-dichloro-N-(propan-2-ylcarbamothioyl)benzamide

2,4-dichloro-N-(propan-2-ylcarbamothioyl)benzamide (PubChem CID 974405) has the molecular formula C11H12Cl2N2OS and a molecular weight of 291.20 g/mol. Its IUPAC name is 2,4-dichloro-N-(propan-2-ylcarbamothioyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(propan-2-ylcarbamothioyl)benzamide
PubChem CID974405
Molecular FormulaC11H12Cl2N2OS
Molecular Weight291.20 g/mol
Exact Mass290.00
IUPAC Name2,4-dichloro-N-(propan-2-ylcarbamothioyl)benzamide
SMILESCC(C)NC(=S)NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H12Cl2N2OS/c1-6(2)14-11(17)15-10(16)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyMNXYJBFGWHOQHI-UHFFFAOYSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 53.01
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

2,4-dichloro-N-(oxolan-2-ylmethylcarbamothioyl)benzamide
CID 2910044
2-Chloro-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide
CID 822765
2,4-dichloro-N-(pyrrolidine-1-carbothioyl)benzamide
CID 694365
2,4-dichloro-N-propylbenzamide
CID 221797
N-(azepane-1-carbothioyl)-2-chlorobenzamide
CID 732342
N'-(4-chlorobenzoyl)-N-cyclohexyl-N-methylthiourea
CID 1226749
2,4-dichloro-N-(propan-2-yl)benzamide
CID 346755
4-chloro-N-(pyrrolidine-1-carbothioyl)benzamide
CID 797459
4-chloro-N-[(cyclohexylamino)carbonothioyl]benzamide
CID 920445
2-chloro-N-(1-pyrrolidinylcarbonothioyl)benzamide
CID 2921335
2,4-Dichloro-N-methylbenzamide
CID 347957
2,4-dichloro-N-(diethylcarbamothioyl)benzamide
CID 833379

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(propan-2-ylcarbamothioyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(propan-2-ylcarbamothioyl)benzamide (CID 974405) is 2,4-dichloro-N-(propan-2-ylcarbamothioyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(propan-2-ylcarbamothioyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(propan-2-ylcarbamothioyl)benzamide is CC(C)NC(=S)NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(propan-2-ylcarbamothioyl)benzamide?
The InChIKey is MNXYJBFGWHOQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2OS/c1-6(2)14-11(17)15-10(16)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3,(H2,14,15,16,17).
What are the key properties of 2,4-dichloro-N-(propan-2-ylcarbamothioyl)benzamide?
2,4-dichloro-N-(propan-2-ylcarbamothioyl)benzamide has a molecular weight of 291.20 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(propan-2-ylcarbamothioyl)benzamide is sourced from PubChem (CID 974405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).