3,5-dichloro-N-(prop-2-enylcarbamothioyl)benzamide

C11H10Cl2N2OS — CID 17133810

IUPAC3,5-dichloro-N-(prop-2-enylcarbamothioyl)benzamide
SMILESC=CCNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H10Cl2N2OS/c1-2-3-14-11(17)15-10(16)7-4-8(12)6-9(13)5-7/h2,4-6H,1,3H2,(H2,14,15,16,17)
InChIKeyXSKJXYZYWAPGIR-UHFFFAOYSA-N
MW289.19 g/mol
LogP2.78
Rot. Bonds3

About 3,5-dichloro-N-(prop-2-enylcarbamothioyl)benzamide

3,5-dichloro-N-(prop-2-enylcarbamothioyl)benzamide (PubChem CID 17133810) has the molecular formula C11H10Cl2N2OS and a molecular weight of 289.19 g/mol. Its IUPAC name is 3,5-dichloro-N-(prop-2-enylcarbamothioyl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(prop-2-enylcarbamothioyl)benzamide
PubChem CID17133810
Molecular FormulaC11H10Cl2N2OS
Molecular Weight289.19 g/mol
Exact Mass287.99
IUPAC Name3,5-dichloro-N-(prop-2-enylcarbamothioyl)benzamide
SMILESC=CCNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H10Cl2N2OS/c1-2-3-14-11(17)15-10(16)7-4-8(12)6-9(13)5-7/h2,4-6H,1,3H2,(H2,14,15,16,17)
InChIKeyXSKJXYZYWAPGIR-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(prop-2-enylcarbamothioyl)benzamide
CID 54792076
3,4-dimethoxy-N-(prop-2-enylcarbamothioyl)benzamide
CID 18822898
N-(carbamoylcarbamothioyl)-3,5-dichlorobenzamide
CID 150538307
1-N,3-N,5-N-tris(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54451991
3-ethoxy-N-(prop-2-enylcarbamothioyl)benzamide
CID 4957698
4-propan-2-yloxy-N-(prop-2-enylcarbamothioyl)benzamide
CID 4952255
N-(prop-2-enylcarbamothioyl)furan-2-carboxamide
CID 2294785
2,6-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 9399521
1-prop-2-enyl-3-(2,4,6-trichloroanilino)thiourea
CID 3251978
3,5-dichloro-N-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide
CID 87280785
N-[[4-(butanoylamino)phenyl]carbamothioyl]-3,5-dichlorobenzamide
CID 17202800
3,5-dichloro-N-(1-hydroxybutan-2-ylcarbamothioyl)benzamide
CID 17162199

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(prop-2-enylcarbamothioyl)benzamide?
The IUPAC name of 3,5-dichloro-N-(prop-2-enylcarbamothioyl)benzamide (CID 17133810) is 3,5-dichloro-N-(prop-2-enylcarbamothioyl)benzamide.
What is the SMILES notation for 3,5-dichloro-N-(prop-2-enylcarbamothioyl)benzamide?
The canonical SMILES for 3,5-dichloro-N-(prop-2-enylcarbamothioyl)benzamide is C=CCNC(=S)NC(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(prop-2-enylcarbamothioyl)benzamide?
The InChIKey is XSKJXYZYWAPGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2OS/c1-2-3-14-11(17)15-10(16)7-4-8(12)6-9(13)5-7/h2,4-6H,1,3H2,(H2,14,15,16,17).
What are the key properties of 3,5-dichloro-N-(prop-2-enylcarbamothioyl)benzamide?
3,5-dichloro-N-(prop-2-enylcarbamothioyl)benzamide has a molecular weight of 289.19 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(prop-2-enylcarbamothioyl)benzamide is sourced from PubChem (CID 17133810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).