1-(4-chlorophenyl)-3-[3-(3-hydroxyphenyl)phenyl]urea

C19H15ClN2O2 — CID 135376458

IUPAC1-(4-chlorophenyl)-3-[3-(3-hydroxyphenyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc(O)c2)c1
InChIInChI=1S/C19H15ClN2O2/c20-15-7-9-16(10-8-15)21-19(24)22-17-5-1-3-13(11-17)14-4-2-6-18(23)12-14/h1-12,23H,(H2,21,22,24)
InChIKeyREYVCEPLQOPGTM-UHFFFAOYSA-N
MW338.79 g/mol
LogP5.36
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[3-(3-hydroxyphenyl)phenyl]urea

1-(4-chlorophenyl)-3-[3-(3-hydroxyphenyl)phenyl]urea (PubChem CID 135376458) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-(3-hydroxyphenyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-(3-hydroxyphenyl)phenyl]urea
PubChem CID135376458
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name1-(4-chlorophenyl)-3-[3-(3-hydroxyphenyl)phenyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc(O)c2)c1
InChIInChI=1S/C19H15ClN2O2/c20-15-7-9-16(10-8-15)21-19(24)22-17-5-1-3-13(11-17)14-4-2-6-18(23)12-14/h1-12,23H,(H2,21,22,24)
InChIKeyREYVCEPLQOPGTM-UHFFFAOYSA-N
XLogP5.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.79
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-(3-hydroxyphenyl)phenyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-(3-hydroxyphenyl)phenyl]urea (CID 135376458) is 1-(4-chlorophenyl)-3-[3-(3-hydroxyphenyl)phenyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-(3-hydroxyphenyl)phenyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-(3-hydroxyphenyl)phenyl]urea is O=C(Nc1ccc(Cl)cc1)Nc1cccc(-c2cccc(O)c2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-(3-hydroxyphenyl)phenyl]urea?
The InChIKey is REYVCEPLQOPGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-15-7-9-16(10-8-15)21-19(24)22-17-5-1-3-13(11-17)14-4-2-6-18(23)12-14/h1-12,23H,(H2,21,22,24).
What are the key properties of 1-(4-chlorophenyl)-3-[3-(3-hydroxyphenyl)phenyl]urea?
1-(4-chlorophenyl)-3-[3-(3-hydroxyphenyl)phenyl]urea has a molecular weight of 338.79 g/mol, XLogP of 5.36, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-(3-hydroxyphenyl)phenyl]urea is sourced from PubChem (CID 135376458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).