1-(5-bromo-2-methylphenyl)-1,3-dimethylurea

C10H13BrN2O — CID 115169063

IUPAC1-(5-bromo-2-methylphenyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1cc(Br)ccc1C
InChIInChI=1S/C10H13BrN2O/c1-7-4-5-8(11)6-9(7)13(3)10(14)12-2/h4-6H,1-3H3,(H,12,14)
InChIKeyLQAVVEAFBYTEBZ-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.53
Rot. Bonds1

About 1-(5-bromo-2-methylphenyl)-1,3-dimethylurea

1-(5-bromo-2-methylphenyl)-1,3-dimethylurea (PubChem CID 115169063) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-1,3-dimethylurea
PubChem CID115169063
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name1-(5-bromo-2-methylphenyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1cc(Br)ccc1C
InChIInChI=1S/C10H13BrN2O/c1-7-4-5-8(11)6-9(7)13(3)10(14)12-2/h4-6H,1-3H3,(H,12,14)
InChIKeyLQAVVEAFBYTEBZ-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-methylphenyl)-1-methylurea
CID 115168285
N-(5-bromo-2-methylphenyl)-N-methyl-2-oxopropanamide
CID 115175535
1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea
CID 115169018
N-(5-bromo-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115138927
1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea
CID 115169289
N-(5-bromo-2-methylphenyl)-2-cyano-N-methylacetamide
CID 115173041
5-(5-bromo-N,2-dimethylanilino)-5-oxopentanoic acid
CID 115163850
1-(4-tert-butyl-2-methylphenyl)-1,3-dimethylurea
CID 115169046
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-[(5-bromo-2-methylbenzoyl)-methylamino]benzoic acid
CID 65306621
N-[(5-chloro-2-methylphenyl)-methylcarbamoyl]formamide
CID 167269517

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-1,3-dimethylurea?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-1,3-dimethylurea (CID 115169063) is 1-(5-bromo-2-methylphenyl)-1,3-dimethylurea.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-1,3-dimethylurea?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-1,3-dimethylurea is CNC(=O)N(C)c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-1,3-dimethylurea?
The InChIKey is LQAVVEAFBYTEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7-4-5-8(11)6-9(7)13(3)10(14)12-2/h4-6H,1-3H3,(H,12,14).
What are the key properties of 1-(5-bromo-2-methylphenyl)-1,3-dimethylurea?
1-(5-bromo-2-methylphenyl)-1,3-dimethylurea has a molecular weight of 257.13 g/mol, XLogP of 2.53, 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)-1,3-dimethylurea is sourced from PubChem (CID 115169063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).