1-(4-bromophenyl)-3-methoxyurea

C8H9BrN2O2 — CID 5119115

IUPAC1-(4-bromophenyl)-3-methoxyurea
SMILESCONC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2O2/c1-13-11-8(12)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)
InChIKeyNPLWLNIXIWUSKD-UHFFFAOYSA-N
MW245.08 g/mol
LogP2.13
Rot. Bonds2

About 1-(4-bromophenyl)-3-methoxyurea

1-(4-bromophenyl)-3-methoxyurea (PubChem CID 5119115) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-methoxyurea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-methoxyurea
PubChem CID5119115
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name1-(4-bromophenyl)-3-methoxyurea
SMILESCONC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C8H9BrN2O2/c1-13-11-8(12)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)
InChIKeyNPLWLNIXIWUSKD-UHFFFAOYSA-N
XLogP2.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-methoxyurea?
The IUPAC name of 1-(4-bromophenyl)-3-methoxyurea (CID 5119115) is 1-(4-bromophenyl)-3-methoxyurea.
What is the SMILES notation for 1-(4-bromophenyl)-3-methoxyurea?
The canonical SMILES for 1-(4-bromophenyl)-3-methoxyurea is CONC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-methoxyurea?
The InChIKey is NPLWLNIXIWUSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-13-11-8(12)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12).
What are the key properties of 1-(4-bromophenyl)-3-methoxyurea?
1-(4-bromophenyl)-3-methoxyurea has a molecular weight of 245.08 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-methoxyurea is sourced from PubChem (CID 5119115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).