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

C14H10Cl2N2O2S — CID 884638

IUPAC2,4-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O2S/c15-8-5-6-9(10(16)7-8)13(20)18-14(21)17-11-3-1-2-4-12(11)19/h1-7,19H,(H2,17,18,20,21)
InChIKeyINBQXABDFURICG-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.83
Rot. Bonds2

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

2,4-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide (PubChem CID 884638) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
PubChem CID884638
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC Name2,4-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1ccccc1O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H10Cl2N2O2S/c15-8-5-6-9(10(16)7-8)13(20)18-14(21)17-11-3-1-2-4-12(11)19/h1-7,19H,(H2,17,18,20,21)
InChIKeyINBQXABDFURICG-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': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2-hydroxyphenyl)benzamide
CID 3239831
1-Benzoyl-3-(2-hydroxy-phenyl)-urea
CID 1092635
Urea, 1-benzoyl-3-(o-hydroxyphenyl)-2-thio-
CID 872065
2,4-Dichloro-2'-hydroxybenzanilide
CID 4690295
2-chloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide
CID 884879
3-bromo-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide
CID 3967840
1-(2,4-Dichloro-benzoyl)-3-(3-hydroxy-phenyl)-urea
CID 11709609
2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]acetamide
CID 884329
2-chloro-N-[(4-hydroxyphenyl)carbamothioyl]benzamide
CID 968980
4-chloro-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]benzamide
CID 4627357
2-chloro-N-(2-hydroxyphenyl)benzamide
CID 307291
2-(4-chlorophenyl)-N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 817114

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide (CID 884638) is 2,4-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1ccccc1O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide?
The InChIKey is INBQXABDFURICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c15-8-5-6-9(10(16)7-8)13(20)18-14(21)17-11-3-1-2-4-12(11)19/h1-7,19H,(H2,17,18,20,21).
What are the key properties of 2,4-dichloro-N-[(2-hydroxyphenyl)carbamothioyl]benzamide?
2,4-dichloro-N-[(2-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-[(2-hydroxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 884638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).