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

C10H13BrN2O — CID 110604759

IUPAC3-(3-bromo-5-methylphenyl)-1,1-dimethylurea
SMILESCc1cc(Br)cc(NC(=O)N(C)C)c1
InChIInChI=1S/C10H13BrN2O/c1-7-4-8(11)6-9(5-7)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
InChIKeyQMRUDAIFRDQURO-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.85
Rot. Bonds1

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

3-(3-bromo-5-methylphenyl)-1,1-dimethylurea (PubChem CID 110604759) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 3-(3-bromo-5-methylphenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(3-bromo-5-methylphenyl)-1,1-dimethylurea
PubChem CID110604759
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name3-(3-bromo-5-methylphenyl)-1,1-dimethylurea
SMILESCc1cc(Br)cc(NC(=O)N(C)C)c1
InChIInChI=1S/C10H13BrN2O/c1-7-4-8(11)6-9(5-7)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
InChIKeyQMRUDAIFRDQURO-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(dimethylcarbamoylamino)-5-methylbenzoic acid
CID 54042559
1-(3-bromo-5-methylphenyl)-3-methylurea
CID 104938547
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N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 84542762
3-(4-bromo-2,6-dichlorophenyl)-1,1-dimethylurea
CID 116654094
N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide
CID 104938678
N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide
CID 104938713
3-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
CID 104852958
N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide
CID 110604732
N-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide
CID 104938652
N-(3-bromo-5-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 107582673
5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107578608

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-methylphenyl)-1,1-dimethylurea?
The IUPAC name of 3-(3-bromo-5-methylphenyl)-1,1-dimethylurea (CID 110604759) is 3-(3-bromo-5-methylphenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(3-bromo-5-methylphenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(3-bromo-5-methylphenyl)-1,1-dimethylurea is Cc1cc(Br)cc(NC(=O)N(C)C)c1.
What is the InChIKey of 3-(3-bromo-5-methylphenyl)-1,1-dimethylurea?
The InChIKey is QMRUDAIFRDQURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7-4-8(11)6-9(5-7)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14).
What are the key properties of 3-(3-bromo-5-methylphenyl)-1,1-dimethylurea?
3-(3-bromo-5-methylphenyl)-1,1-dimethylurea has a molecular weight of 257.13 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-methylphenyl)-1,1-dimethylurea is sourced from PubChem (CID 110604759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).