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

C15H11Cl2N3O3S — CID 3504913

IUPAC2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide
SMILESO=C(NNC(=S)NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1O
InChIInChI=1S/C15H11Cl2N3O3S/c16-8-5-6-9(11(17)7-8)13(22)18-15(24)20-19-14(23)10-3-1-2-4-12(10)21/h1-7,21H,(H,19,23)(H2,18,20,22,24)
InChIKeyVWOWYQUTGZVUKZ-UHFFFAOYSA-N
MW384.24 g/mol
LogP2.65
Rot. Bonds2

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

2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide (PubChem CID 3504913) has the molecular formula C15H11Cl2N3O3S and a molecular weight of 384.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide
PubChem CID3504913
Molecular FormulaC15H11Cl2N3O3S
Molecular Weight384.24 g/mol
Exact Mass382.99
IUPAC Name2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide
SMILESO=C(NNC(=S)NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1O
InChIInChI=1S/C15H11Cl2N3O3S/c16-8-5-6-9(11(17)7-8)13(22)18-15(24)20-19-14(23)10-3-1-2-4-12(10)21/h1-7,21H,(H,19,23)(H2,18,20,22,24)
InChIKeyVWOWYQUTGZVUKZ-UHFFFAOYSA-N
XLogP2.65
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]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

2-bromo-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]benzamide
CID 4636694
2-chloro-N-[[(3,4,5-trihydroxybenzoyl)amino]carbamothioyl]benzamide
CID 175208725
1-(2-chlorophenyl)-3-[(2,4-dichlorobenzoyl)amino]thiourea
CID 13329340
(2R)-2-(2,4-dichlorophenoxy)-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]propanamide
CID 41121207
2-(4-chlorophenyl)-N-[[(2,4-dichlorobenzoyl)amino]carbamothioyl]acetamide
CID 4937082
methyl 4-[[(2,4-dichlorobenzoyl)amino]carbamothioylcarbamoyl]benzoate
CID 17178688
2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]benzoic acid
CID 1010177
1-(4-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 8669499
2,4-dichloro-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide
CID 3505238
1-(3-chlorophenyl)-3-[(2-hydroxybenzoyl)amino]thiourea
CID 155517349
2-chloro-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide
CID 4942210
N-[(2,4-dichlorobenzoyl)amino]carbamodithioate
CID 135747047

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide (CID 3504913) is 2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide is O=C(NNC(=S)NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1O.
What is the InChIKey of 2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide?
The InChIKey is VWOWYQUTGZVUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O3S/c16-8-5-6-9(11(17)7-8)13(22)18-15(24)20-19-14(23)10-3-1-2-4-12(10)21/h1-7,21H,(H,19,23)(H2,18,20,22,24).
What are the key properties of 2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide?
2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide has a molecular weight of 384.24 g/mol, XLogP of 2.65, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[(2-hydroxybenzoyl)amino]carbamothioyl]benzamide is sourced from PubChem (CID 3504913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).