1-(4-bromophenyl)-3-cyclohexylurea

C13H17BrN2O — CID 5060293

IUPAC1-(4-bromophenyl)-3-cyclohexylurea
SMILESO=C(Nc1ccc(Br)cc1)NC1CCCCC1
InChIInChI=1S/C13H17BrN2O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)
InChIKeyZHTGCMQYLMXTID-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.90
Rot. Bonds2

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

1-(4-bromophenyl)-3-cyclohexylurea (PubChem CID 5060293) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-cyclohexylurea
PubChem CID5060293
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-(4-bromophenyl)-3-cyclohexylurea
SMILESO=C(Nc1ccc(Br)cc1)NC1CCCCC1
InChIInChI=1S/C13H17BrN2O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17)
InChIKeyZHTGCMQYLMXTID-UHFFFAOYSA-N
XLogP3.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-cyclohexylurea?
The IUPAC name of 1-(4-bromophenyl)-3-cyclohexylurea (CID 5060293) is 1-(4-bromophenyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(4-bromophenyl)-3-cyclohexylurea?
The canonical SMILES for 1-(4-bromophenyl)-3-cyclohexylurea is O=C(Nc1ccc(Br)cc1)NC1CCCCC1.
What is the InChIKey of 1-(4-bromophenyl)-3-cyclohexylurea?
The InChIKey is ZHTGCMQYLMXTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,15,16,17).
What are the key properties of 1-(4-bromophenyl)-3-cyclohexylurea?
1-(4-bromophenyl)-3-cyclohexylurea has a molecular weight of 297.20 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-cyclohexylurea is sourced from PubChem (CID 5060293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).