1-(4-bromo-2-chlorophenyl)-3-cyclopropylurea

C10H10BrClN2O — CID 6466991

IUPAC1-(4-bromo-2-chlorophenyl)-3-cyclopropylurea
SMILESO=C(Nc1ccc(Br)cc1Cl)NC1CC1
InChIInChI=1S/C10H10BrClN2O/c11-6-1-4-9(8(12)5-6)14-10(15)13-7-2-3-7/h1,4-5,7H,2-3H2,(H2,13,14,15)
InChIKeyDBGZABGXWIZYKP-UHFFFAOYSA-N
MW289.56 g/mol
LogP3.39
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)-3-cyclopropylurea

1-(4-bromo-2-chlorophenyl)-3-cyclopropylurea (PubChem CID 6466991) has the molecular formula C10H10BrClN2O and a molecular weight of 289.56 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3-cyclopropylurea
PubChem CID6466991
Molecular FormulaC10H10BrClN2O
Molecular Weight289.56 g/mol
Exact Mass287.97
IUPAC Name1-(4-bromo-2-chlorophenyl)-3-cyclopropylurea
SMILESO=C(Nc1ccc(Br)cc1Cl)NC1CC1
InChIInChI=1S/C10H10BrClN2O/c11-6-1-4-9(8(12)5-6)14-10(15)13-7-2-3-7/h1,4-5,7H,2-3H2,(H2,13,14,15)
InChIKeyDBGZABGXWIZYKP-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.56
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-cyclopropylurea?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3-cyclopropylurea (CID 6466991) is 1-(4-bromo-2-chlorophenyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3-cyclopropylurea?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3-cyclopropylurea is O=C(Nc1ccc(Br)cc1Cl)NC1CC1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3-cyclopropylurea?
The InChIKey is DBGZABGXWIZYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O/c11-6-1-4-9(8(12)5-6)14-10(15)13-7-2-3-7/h1,4-5,7H,2-3H2,(H2,13,14,15).
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3-cyclopropylurea?
1-(4-bromo-2-chlorophenyl)-3-cyclopropylurea has a molecular weight of 289.56 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3-cyclopropylurea is sourced from PubChem (CID 6466991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).