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

C14H10Cl2N2O2S — CID 4939146

IUPAC2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1cccc(O)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O2S/c15-8-4-5-11(12(16)6-8)13(20)18-14(21)17-9-2-1-3-10(19)7-9/h1-7,19H,(H2,17,18,20,21)
InChIKeyYTJABPLQLNMRRQ-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.83
Rot. Bonds2

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

2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide (PubChem CID 4939146) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
PubChem CID4939146
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC Name2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1cccc(O)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O2S/c15-8-4-5-11(12(16)6-8)13(20)18-14(21)17-9-2-1-3-10(19)7-9/h1-7,19H,(H2,17,18,20,21)
InChIKeyYTJABPLQLNMRRQ-UHFFFAOYSA-N
XLogP3.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[(2,6-dimethylphenyl)carbamothioyl]benzamide
CID 1342825
N-[3-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 3495265
2,4-dichloro-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17169954
N-[[3-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-2,6-dimethoxybenzamide
CID 23100463
2-bromo-N-[(3-hydroxyphenyl)carbamothioyl]benzamide
CID 4939197
2,4-dichloro-N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17227923
2-(4-chlorophenyl)-N-[(3-hydroxyphenyl)carbamothioyl]acetamide
CID 4939207
2,4-dichloro-N-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 4934093
2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide
CID 3504913
N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 2183818
N-[4-[(2,4-dichlorobenzoyl)carbamothioylamino]phenyl]thiophene-2-carboxamide
CID 1342504
2,4-dichloro-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide
CID 2396916

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide (CID 4939146) is 2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1cccc(O)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide?
The InChIKey is YTJABPLQLNMRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c15-8-4-5-11(12(16)6-8)13(20)18-14(21)17-9-2-1-3-10(19)7-9/h1-7,19H,(H2,17,18,20,21).
What are the key properties of 2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide?
2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide has a molecular weight of 341.22 g/mol, XLogP of 3.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(3-hydroxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 4939146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).