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

C11H13BrN2O — CID 47127436

IUPAC1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
SMILESCc1cc(NC(=O)NC2CC2)ccc1Br
InChIInChI=1S/C11H13BrN2O/c1-7-6-9(4-5-10(7)12)14-11(15)13-8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,13,14,15)
InChIKeyFFHHNVACOIPHIS-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.04
Rot. Bonds2

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

1-(4-bromo-3-methylphenyl)-3-cyclopropylurea (PubChem CID 47127436) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
PubChem CID47127436
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
SMILESCc1cc(NC(=O)NC2CC2)ccc1Br
InChIInChI=1S/C11H13BrN2O/c1-7-6-9(4-5-10(7)12)14-11(15)13-8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,13,14,15)
InChIKeyFFHHNVACOIPHIS-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[6-(4-bromo-3-methylanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113050196
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea
CID 115575186
1-(3-bromo-4-methylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 110866440
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
1-(4-bromo-3,5-dimethylphenyl)-3-cyclobutylurea
CID 103582018
1-N'-(4-bromo-3-methylphenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
CID 108971910
1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067
4-[(4-bromo-3-methylphenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240535
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
CID 115617939

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-3-cyclopropylurea?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-3-cyclopropylurea (CID 47127436) is 1-(4-bromo-3-methylphenyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-3-cyclopropylurea?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-3-cyclopropylurea is Cc1cc(NC(=O)NC2CC2)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-3-cyclopropylurea?
The InChIKey is FFHHNVACOIPHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-7-6-9(4-5-10(7)12)14-11(15)13-8-2-3-8/h4-6,8H,2-3H2,1H3,(H2,13,14,15).
What are the key properties of 1-(4-bromo-3-methylphenyl)-3-cyclopropylurea?
1-(4-bromo-3-methylphenyl)-3-cyclopropylurea has a molecular weight of 269.14 g/mol, XLogP of 3.04, 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-cyclopropylurea is sourced from PubChem (CID 47127436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).