1-(4-bromo-3-methylphenyl)-3-cyclohexylurea

C14H19BrN2O — CID 5158251

IUPAC1-(4-bromo-3-methylphenyl)-3-cyclohexylurea
SMILESCc1cc(NC(=O)NC2CCCCC2)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-9-12(7-8-13(10)15)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17,18)
InChIKeyHUJKXVVMNUMLFR-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.21
Rot. Bonds2

About 1-(4-bromo-3-methylphenyl)-3-cyclohexylurea

1-(4-bromo-3-methylphenyl)-3-cyclohexylurea (PubChem CID 5158251) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-3-cyclohexylurea
PubChem CID5158251
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(4-bromo-3-methylphenyl)-3-cyclohexylurea
SMILESCc1cc(NC(=O)NC2CCCCC2)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-9-12(7-8-13(10)15)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17,18)
InChIKeyHUJKXVVMNUMLFR-UHFFFAOYSA-N
XLogP4.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.21
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-methylphenyl)-3-cyclohexylurea?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-3-cyclohexylurea (CID 5158251) is 1-(4-bromo-3-methylphenyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-3-cyclohexylurea?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-3-cyclohexylurea is Cc1cc(NC(=O)NC2CCCCC2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-3-cyclohexylurea?
The InChIKey is HUJKXVVMNUMLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-9-12(7-8-13(10)15)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-bromo-3-methylphenyl)-3-cyclohexylurea?
1-(4-bromo-3-methylphenyl)-3-cyclohexylurea has a molecular weight of 311.22 g/mol, XLogP of 4.21, 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-methylphenyl)-3-cyclohexylurea is sourced from PubChem (CID 5158251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).