2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide

C14H10Cl2N2O2S — CID 4942210

IUPAC2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C14H10Cl2N2O2S/c15-8-5-6-12(19)11(7-8)17-14(21)18-13(20)9-3-1-2-4-10(9)16/h1-7,19H,(H2,17,18,20,21)
InChIKeyRLCDSBLBVJPJCG-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.83
Rot. Bonds2

About 2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide

2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide (PubChem CID 4942210) has the molecular formula C14H10Cl2N2O2S and a molecular weight of 341.22 g/mol. Its IUPAC name is 2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide
PubChem CID4942210
Molecular FormulaC14H10Cl2N2O2S
Molecular Weight341.22 g/mol
Exact Mass339.98
IUPAC Name2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide
SMILESO=C(NC(=S)Nc1cc(Cl)ccc1O)c1ccccc1Cl
InChIInChI=1S/C14H10Cl2N2O2S/c15-8-5-6-12(19)11(7-8)17-14(21)18-13(20)9-3-1-2-4-10(9)16/h1-7,19H,(H2,17,18,20,21)
InChIKeyRLCDSBLBVJPJCG-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'}

Analyze 2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[(2,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide
CID 22775522
N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-3-fluorobenzamide
CID 17099498
N-[[5-[(2S)-butan-2-yl]-2-hydroxyphenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 1227248
3-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide
CID 4942217
2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide
CID 3504913
2-chloro-N-[(2-chloro-4-iodophenyl)carbamothioyl]benzamide
CID 1048232
2-chloro-N-[(2-fluoro-4-iodophenyl)carbamothioyl]benzamide
CID 22780153
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 4937958
N-[(2-hydroxy-5-methylphenyl)carbamothioyl]-2-methylbenzamide
CID 885104
N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide
CID 17099861
2-chloro-N-[(3,5-dibromo-4-hydroxyphenyl)carbamothioyl]benzamide
CID 5254364
2-chloro-N-[(5-chloro-2-pyridinyl)carbamothioyl]benzamide
CID 881777

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide?
The IUPAC name of 2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide (CID 4942210) is 2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide?
The canonical SMILES for 2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide is O=C(NC(=S)Nc1cc(Cl)ccc1O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide?
The InChIKey is RLCDSBLBVJPJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2S/c15-8-5-6-12(19)11(7-8)17-14(21)18-13(20)9-3-1-2-4-10(9)16/h1-7,19H,(H2,17,18,20,21).
What are the key properties of 2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide?
2-chloro-N-[(5-chloro-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-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide is sourced from PubChem (CID 4942210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).