1-(5-bromo-2-methylphenyl)-1-methylurea

C9H11BrN2O — CID 115168285

IUPAC1-(5-bromo-2-methylphenyl)-1-methylurea
SMILESCc1ccc(Br)cc1N(C)C(N)=O
InChIInChI=1S/C9H11BrN2O/c1-6-3-4-7(10)5-8(6)12(2)9(11)13/h3-5H,1-2H3,(H2,11,13)
InChIKeyDVXZEHNRUXKPDT-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.27
Rot. Bonds1

About 1-(5-bromo-2-methylphenyl)-1-methylurea

1-(5-bromo-2-methylphenyl)-1-methylurea (PubChem CID 115168285) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-1-methylurea.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-1-methylurea
PubChem CID115168285
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name1-(5-bromo-2-methylphenyl)-1-methylurea
SMILESCc1ccc(Br)cc1N(C)C(N)=O
InChIInChI=1S/C9H11BrN2O/c1-6-3-4-7(10)5-8(6)12(2)9(11)13/h3-5H,1-2H3,(H2,11,13)
InChIKeyDVXZEHNRUXKPDT-UHFFFAOYSA-N
XLogP2.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide
CID 115175535
1-(5-bromo-2-methylphenyl)-1,3-dimethylurea
CID 115169063
N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138927
N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide
CID 115173041
5-(5-bromo-N,2-dimethylanilino)-5-oxopentanoic acid
CID 115163850
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
N-(5-bromo-2-methylphenyl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 115160149
N-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylacetamide
CID 115160585
2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide
CID 79721752
2-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid
CID 65306621
N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide
CID 65306033
2-N-(5-bromo-2-methylphenyl)-2-N-methylpropane-1,2-diamine
CID 117039939

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-1-methylurea?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-1-methylurea (CID 115168285) is 1-(5-bromo-2-methylphenyl)-1-methylurea.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-1-methylurea?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-1-methylurea is Cc1ccc(Br)cc1N(C)C(N)=O.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-1-methylurea?
The InChIKey is DVXZEHNRUXKPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c1-6-3-4-7(10)5-8(6)12(2)9(11)13/h3-5H,1-2H3,(H2,11,13).
What are the key properties of 1-(5-bromo-2-methylphenyl)-1-methylurea?
1-(5-bromo-2-methylphenyl)-1-methylurea has a molecular weight of 243.10 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-1-methylurea is sourced from PubChem (CID 115168285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).