1-(4-bromo-3-chlorophenyl)-3-phenylurea

C13H10BrClN2O — CID 681321

IUPAC1-(4-bromo-3-chlorophenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H10BrClN2O/c14-11-7-6-10(8-12(11)15)17-13(18)16-9-4-2-1-3-5-9/h1-8H,(H2,16,17,18)
InChIKeyRPQAFSUOQKXFMS-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.75
Rot. Bonds2

About 1-(4-bromo-3-chlorophenyl)-3-phenylurea

1-(4-bromo-3-chlorophenyl)-3-phenylurea (PubChem CID 681321) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-3-phenylurea
PubChem CID681321
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name1-(4-bromo-3-chlorophenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H10BrClN2O/c14-11-7-6-10(8-12(11)15)17-13(18)16-9-4-2-1-3-5-9/h1-8H,(H2,16,17,18)
InChIKeyRPQAFSUOQKXFMS-UHFFFAOYSA-N
XLogP4.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-3-phenylurea?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-3-phenylurea (CID 681321) is 1-(4-bromo-3-chlorophenyl)-3-phenylurea.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-3-phenylurea?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-3-phenylurea?
The InChIKey is RPQAFSUOQKXFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c14-11-7-6-10(8-12(11)15)17-13(18)16-9-4-2-1-3-5-9/h1-8H,(H2,16,17,18).
What are the key properties of 1-(4-bromo-3-chlorophenyl)-3-phenylurea?
1-(4-bromo-3-chlorophenyl)-3-phenylurea has a molecular weight of 325.59 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-3-phenylurea is sourced from PubChem (CID 681321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).