1-(2-chlorophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea

C20H15Br2ClN2O2 — CID 56677261

IUPAC1-(2-chlorophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1cc(Br)cc(Br)c1O)c1ccccc1Cl
InChIInChI=1S/C20H15Br2ClN2O2/c21-14-10-13(19(26)16(22)11-14)12-25(18-9-5-4-8-17(18)23)20(27)24-15-6-2-1-3-7-15/h1-11,26H,12H2,(H,24,27)
InChIKeyJFGWHXJCJNGKNM-UHFFFAOYSA-N
MW510.61 g/mol
LogP6.81
Rot. Bonds4

About 1-(2-chlorophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea

1-(2-chlorophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea (PubChem CID 56677261) has the molecular formula C20H15Br2ClN2O2 and a molecular weight of 510.61 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea
PubChem CID56677261
Molecular FormulaC20H15Br2ClN2O2
Molecular Weight510.61 g/mol
Exact Mass507.92
IUPAC Name1-(2-chlorophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1cc(Br)cc(Br)c1O)c1ccccc1Cl
InChIInChI=1S/C20H15Br2ClN2O2/c21-14-10-13(19(26)16(22)11-14)12-25(18-9-5-4-8-17(18)23)20(27)24-15-6-2-1-3-7-15/h1-11,26H,12H2,(H,24,27)
InChIKeyJFGWHXJCJNGKNM-UHFFFAOYSA-N
XLogP6.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.61
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea?
The IUPAC name of 1-(2-chlorophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea (CID 56677261) is 1-(2-chlorophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea.
What is the SMILES notation for 1-(2-chlorophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea?
The canonical SMILES for 1-(2-chlorophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea is O=C(Nc1ccccc1)N(Cc1cc(Br)cc(Br)c1O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea?
The InChIKey is JFGWHXJCJNGKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Br2ClN2O2/c21-14-10-13(19(26)16(22)11-14)12-25(18-9-5-4-8-17(18)23)20(27)24-15-6-2-1-3-7-15/h1-11,26H,12H2,(H,24,27).
What are the key properties of 1-(2-chlorophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea?
1-(2-chlorophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea has a molecular weight of 510.61 g/mol, XLogP of 6.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]-3-phenylurea is sourced from PubChem (CID 56677261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).