1-(3-chlorophenyl)-3-(2-hydroxyphenyl)urea

C13H11ClN2O2 — CID 25269574

IUPAC1-(3-chlorophenyl)-3-(2-hydroxyphenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccccc1O
InChIInChI=1S/C13H11ClN2O2/c14-9-4-3-5-10(8-9)15-13(18)16-11-6-1-2-7-12(11)17/h1-8,17H,(H2,15,16,18)
InChIKeyLVANQXVJDDPHAI-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.69
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(2-hydroxyphenyl)urea

1-(3-chlorophenyl)-3-(2-hydroxyphenyl)urea (PubChem CID 25269574) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2-hydroxyphenyl)urea
PubChem CID25269574
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name1-(3-chlorophenyl)-3-(2-hydroxyphenyl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1ccccc1O
InChIInChI=1S/C13H11ClN2O2/c14-9-4-3-5-10(8-9)15-13(18)16-11-6-1-2-7-12(11)17/h1-8,17H,(H2,15,16,18)
InChIKeyLVANQXVJDDPHAI-UHFFFAOYSA-N
XLogP3.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(3-chlorophenyl)-3-(2-hydroxyphenyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2-hydroxyphenyl)urea (CID 25269574) is 1-(3-chlorophenyl)-3-(2-hydroxyphenyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2-hydroxyphenyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2-hydroxyphenyl)urea is O=C(Nc1cccc(Cl)c1)Nc1ccccc1O.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2-hydroxyphenyl)urea?
The InChIKey is LVANQXVJDDPHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-9-4-3-5-10(8-9)15-13(18)16-11-6-1-2-7-12(11)17/h1-8,17H,(H2,15,16,18).
What are the key properties of 1-(3-chlorophenyl)-3-(2-hydroxyphenyl)urea?
1-(3-chlorophenyl)-3-(2-hydroxyphenyl)urea has a molecular weight of 262.70 g/mol, XLogP of 3.69, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2-hydroxyphenyl)urea is sourced from PubChem (CID 25269574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).