1-(3-bromo-5-methylphenyl)-3-methylurea

C9H11BrN2O — CID 104938547

IUPAC1-(3-bromo-5-methylphenyl)-3-methylurea
SMILESCNC(=O)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C9H11BrN2O/c1-6-3-7(10)5-8(4-6)12-9(13)11-2/h3-5H,1-2H3,(H2,11,12,13)
InChIKeyWEHFTKXXEFOXKA-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.51
Rot. Bonds1

About 1-(3-bromo-5-methylphenyl)-3-methylurea

1-(3-bromo-5-methylphenyl)-3-methylurea (PubChem CID 104938547) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-3-methylurea.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-3-methylurea
PubChem CID104938547
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name1-(3-bromo-5-methylphenyl)-3-methylurea
SMILESCNC(=O)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C9H11BrN2O/c1-6-3-7(10)5-8(4-6)12-9(13)11-2/h3-5H,1-2H3,(H2,11,12,13)
InChIKeyWEHFTKXXEFOXKA-UHFFFAOYSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide
CID 129095419
(2R)-2-[(3-bromo-5-methylphenyl)carbamoylamino]propanoic acid
CID 107576611
3-(3-bromo-5-methylphenyl)-1,1-dimethylurea
CID 110604759
3-[(3-bromo-5-methylphenyl)carbamoylamino]propanoic acid
CID 107576602
1-(3-bromo-5-methylphenyl)-3-prop-2-enylurea
CID 84527152
N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 84542762
N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide
CID 107577182
4-[(3-bromo-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 107584192
3-[(3-bromo-5-methylphenyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
CID 107576678
(2R)-2-[(3-bromo-5-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 107576590
3-[(3-bromo-5-methylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 107576596
2-(3-bromo-5-methylanilino)-N-methylacetamide
CID 107583333

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-3-methylurea?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-3-methylurea (CID 104938547) is 1-(3-bromo-5-methylphenyl)-3-methylurea.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-3-methylurea?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-3-methylurea is CNC(=O)Nc1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-3-methylurea?
The InChIKey is WEHFTKXXEFOXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6-3-7(10)5-8(4-6)12-9(13)11-2/h3-5H,1-2H3,(H2,11,12,13).
What are the key properties of 1-(3-bromo-5-methylphenyl)-3-methylurea?
1-(3-bromo-5-methylphenyl)-3-methylurea has a molecular weight of 243.10 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-3-methylurea is sourced from PubChem (CID 104938547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).