1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-(4-chlorophenyl)urea

C15H14Cl2N2O3 — CID 69009222

IUPAC1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)cc(CCO)c1O
InChIInChI=1S/C15H14Cl2N2O3/c16-10-1-3-12(4-2-10)18-15(22)19-13-8-11(17)7-9(5-6-20)14(13)21/h1-4,7-8,20-21H,5-6H2,(H2,18,19,22)
InChIKeySSXBZYNHSQPVLS-UHFFFAOYSA-N
MW341.19 g/mol
LogP3.88
Rot. Bonds4

About 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-(4-chlorophenyl)urea

1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-(4-chlorophenyl)urea (PubChem CID 69009222) has the molecular formula C15H14Cl2N2O3 and a molecular weight of 341.19 g/mol. Its IUPAC name is 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-(4-chlorophenyl)urea
PubChem CID69009222
Molecular FormulaC15H14Cl2N2O3
Molecular Weight341.19 g/mol
Exact Mass340.04
IUPAC Name1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-(4-chlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)cc(CCO)c1O
InChIInChI=1S/C15H14Cl2N2O3/c16-10-1-3-12(4-2-10)18-15(22)19-13-8-11(17)7-9(5-6-20)14(13)21/h1-4,7-8,20-21H,5-6H2,(H2,18,19,22)
InChIKeySSXBZYNHSQPVLS-UHFFFAOYSA-N
XLogP3.88
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-(4-chlorophenyl)urea (CID 69009222) is 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-(4-chlorophenyl)urea is O=C(Nc1ccc(Cl)cc1)Nc1cc(Cl)cc(CCO)c1O.
What is the InChIKey of 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-(4-chlorophenyl)urea?
The InChIKey is SSXBZYNHSQPVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3/c16-10-1-3-12(4-2-10)18-15(22)19-13-8-11(17)7-9(5-6-20)14(13)21/h1-4,7-8,20-21H,5-6H2,(H2,18,19,22).
What are the key properties of 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-(4-chlorophenyl)urea?
1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-(4-chlorophenyl)urea has a molecular weight of 341.19 g/mol, XLogP of 3.88, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 69009222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).