1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea

C13H15BrN2O — CID 108915966

IUPAC1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea
SMILESCc1ccc(NC(=O)N/C=C/C2CC2)c(Br)c1
InChIInChI=1S/C13H15BrN2O/c1-9-2-5-12(11(14)8-9)16-13(17)15-7-6-10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H2,15,16,17)/b7-6+
InChIKeyXJOXSDXSKGRLFM-VOTSOKGWSA-N
MW295.18 g/mol
LogP3.80
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea

1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea (PubChem CID 108915966) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea
PubChem CID108915966
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea
SMILESCc1ccc(NC(=O)N/C=C/C2CC2)c(Br)c1
InChIInChI=1S/C13H15BrN2O/c1-9-2-5-12(11(14)8-9)16-13(17)15-7-6-10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H2,15,16,17)/b7-6+
InChIKeyXJOXSDXSKGRLFM-VOTSOKGWSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
1-[(E)-2-cyclopropylethenyl]-3-(2,4,6-trimethylphenyl)urea
CID 108915759
1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108991373
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
1-[(E)-2-cyclopentylethenyl]-3-(2,4,6-trimethylphenyl)urea
CID 108911711
2-[(2-bromo-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64815711
3-[(2-bromo-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031810
N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide
CID 81004083
(2S)-N-(2-bromo-4-methylphenyl)-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9444070
1-[(E)-2-cyclohexylethenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108912165
1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111925840
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea (CID 108915966) is 1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea is Cc1ccc(NC(=O)N/C=C/C2CC2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea?
The InChIKey is XJOXSDXSKGRLFM-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9-2-5-12(11(14)8-9)16-13(17)15-7-6-10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H2,15,16,17)/b7-6+.
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea?
1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea has a molecular weight of 295.18 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3-[(E)-2-cyclopropylethenyl]urea is sourced from PubChem (CID 108915966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).