3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea

C10H12BrFN2O — CID 103269164

IUPAC3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea
SMILESCc1cc(F)c(Br)cc1NC(=O)N(C)C
InChIInChI=1S/C10H12BrFN2O/c1-6-4-8(12)7(11)5-9(6)13-10(15)14(2)3/h4-5H,1-3H3,(H,13,15)
InChIKeyTZWSYWODFHGTNP-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.99
Rot. Bonds1

About 3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea

3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea (PubChem CID 103269164) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea
PubChem CID103269164
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea
SMILESCc1cc(F)c(Br)cc1NC(=O)N(C)C
InChIInChI=1S/C10H12BrFN2O/c1-6-4-8(12)7(11)5-9(6)13-10(15)14(2)3/h4-5H,1-3H3,(H,13,15)
InChIKeyTZWSYWODFHGTNP-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 107593206
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 107593224
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592265
(2S)-2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propanamide
CID 107592355
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-3-methylbutanamide
CID 107591742
1-(5-bromo-4-fluoro-2-methylphenyl)-3-propylurea
CID 103274772
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
ethyl 2-(5-bromo-4-fluoro-2-methylanilino)-2-oxoacetate
CID 107593469
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea?
The IUPAC name of 3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea (CID 103269164) is 3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea?
The canonical SMILES for 3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea is Cc1cc(F)c(Br)cc1NC(=O)N(C)C.
What is the InChIKey of 3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea?
The InChIKey is TZWSYWODFHGTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-6-4-8(12)7(11)5-9(6)13-10(15)14(2)3/h4-5H,1-3H3,(H,13,15).
What are the key properties of 3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea?
3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea has a molecular weight of 275.12 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-fluoro-2-methylphenyl)-1,1-dimethylurea is sourced from PubChem (CID 103269164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).