1-(2-bromophenyl)-3-phenylurea

C13H11BrN2O — CID 765466

IUPAC1-(2-bromophenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C13H11BrN2O/c14-11-8-4-5-9-12(11)16-13(17)15-10-6-2-1-3-7-10/h1-9H,(H2,15,16,17)
InChIKeyLCOWZPIPSUYVOG-UHFFFAOYSA-N
MW291.15 g/mol
LogP4.09
Rot. Bonds2

About 1-(2-bromophenyl)-3-phenylurea

1-(2-bromophenyl)-3-phenylurea (PubChem CID 765466) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-phenylurea
PubChem CID765466
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name1-(2-bromophenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccccc1Br
InChIInChI=1S/C13H11BrN2O/c14-11-8-4-5-9-12(11)16-13(17)15-10-6-2-1-3-7-10/h1-9H,(H2,15,16,17)
InChIKeyLCOWZPIPSUYVOG-UHFFFAOYSA-N
XLogP4.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-phenylurea?
The IUPAC name of 1-(2-bromophenyl)-3-phenylurea (CID 765466) is 1-(2-bromophenyl)-3-phenylurea.
What is the SMILES notation for 1-(2-bromophenyl)-3-phenylurea?
The canonical SMILES for 1-(2-bromophenyl)-3-phenylurea is O=C(Nc1ccccc1)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-phenylurea?
The InChIKey is LCOWZPIPSUYVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O/c14-11-8-4-5-9-12(11)16-13(17)15-10-6-2-1-3-7-10/h1-9H,(H2,15,16,17).
What are the key properties of 1-(2-bromophenyl)-3-phenylurea?
1-(2-bromophenyl)-3-phenylurea has a molecular weight of 291.15 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-phenylurea is sourced from PubChem (CID 765466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).