1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea

C15H13Cl2N3O2S — CID 134103806

IUPAC1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea
SMILESCSc1ccc(NC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2N3O2S/c1-23-11-5-3-10(4-6-11)18-15(22)20-19-14(21)12-7-2-9(16)8-13(12)17/h2-8H,1H3,(H,19,21)(H2,18,20,22)
InChIKeyUJXTVHATLMUYOW-UHFFFAOYSA-N
MW370.26 g/mol
LogP4.18
Rot. Bonds3

About 1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea

1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea (PubChem CID 134103806) has the molecular formula C15H13Cl2N3O2S and a molecular weight of 370.26 g/mol. Its IUPAC name is 1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea
PubChem CID134103806
Molecular FormulaC15H13Cl2N3O2S
Molecular Weight370.26 g/mol
Exact Mass369.01
IUPAC Name1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea
SMILESCSc1ccc(NC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2N3O2S/c1-23-11-5-3-10(4-6-11)18-15(22)20-19-14(21)12-7-2-9(16)8-13(12)17/h2-8H,1H3,(H,19,21)(H2,18,20,22)
InChIKeyUJXTVHATLMUYOW-UHFFFAOYSA-N
XLogP4.18
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea?
The IUPAC name of 1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea (CID 134103806) is 1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea is CSc1ccc(NC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea?
The InChIKey is UJXTVHATLMUYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2S/c1-23-11-5-3-10(4-6-11)18-15(22)20-19-14(21)12-7-2-9(16)8-13(12)17/h2-8H,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of 1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea?
1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea has a molecular weight of 370.26 g/mol, XLogP of 4.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorobenzoyl)amino]-3-(4-methylsulfanylphenyl)urea is sourced from PubChem (CID 134103806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).