1-(4-bromophenyl)-3-hydroxyurea

C7H7BrN2O2 — CID 4251126

IUPAC1-(4-bromophenyl)-3-hydroxyurea
SMILESO=C(NO)Nc1ccc(Br)cc1
InChIInChI=1S/C7H7BrN2O2/c8-5-1-3-6(4-2-5)9-7(11)10-12/h1-4,12H,(H2,9,10,11)
InChIKeyQFELVVGTIKGYJL-UHFFFAOYSA-N
MW231.05 g/mol
LogP1.96
Rot. Bonds1

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

1-(4-bromophenyl)-3-hydroxyurea (PubChem CID 4251126) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-hydroxyurea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-hydroxyurea
PubChem CID4251126
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name1-(4-bromophenyl)-3-hydroxyurea
SMILESO=C(NO)Nc1ccc(Br)cc1
InChIInChI=1S/C7H7BrN2O2/c8-5-1-3-6(4-2-5)9-7(11)10-12/h1-4,12H,(H2,9,10,11)
InChIKeyQFELVVGTIKGYJL-UHFFFAOYSA-N
XLogP1.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'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-hydroxyurea?
The IUPAC name of 1-(4-bromophenyl)-3-hydroxyurea (CID 4251126) is 1-(4-bromophenyl)-3-hydroxyurea.
What is the SMILES notation for 1-(4-bromophenyl)-3-hydroxyurea?
The canonical SMILES for 1-(4-bromophenyl)-3-hydroxyurea is O=C(NO)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-hydroxyurea?
The InChIKey is QFELVVGTIKGYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c8-5-1-3-6(4-2-5)9-7(11)10-12/h1-4,12H,(H2,9,10,11).
What are the key properties of 1-(4-bromophenyl)-3-hydroxyurea?
1-(4-bromophenyl)-3-hydroxyurea has a molecular weight of 231.05 g/mol, XLogP of 1.96, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-hydroxyurea is sourced from PubChem (CID 4251126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).