3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea

C11H12BrF3N2O2 — CID 91662216

IUPAC3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
SMILESCOc1ccc(NC(=O)N(C)CC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H12BrF3N2O2/c1-17(6-11(13,14)15)10(18)16-9-4-3-7(19-2)5-8(9)12/h3-5H,6H2,1-2H3,(H,16,18)
InChIKeyCAMRYWDKFYGYRM-UHFFFAOYSA-N
MW341.13 g/mol
LogP3.48
Rot. Bonds3

About 3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea

3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea (PubChem CID 91662216) has the molecular formula C11H12BrF3N2O2 and a molecular weight of 341.13 g/mol. Its IUPAC name is 3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
PubChem CID91662216
Molecular FormulaC11H12BrF3N2O2
Molecular Weight341.13 g/mol
Exact Mass340.00
IUPAC Name3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
SMILESCOc1ccc(NC(=O)N(C)CC(F)(F)F)c(Br)c1
InChIInChI=1S/C11H12BrF3N2O2/c1-17(6-11(13,14)15)10(18)16-9-4-3-7(19-2)5-8(9)12/h3-5H,6H2,1-2H3,(H,16,18)
InChIKeyCAMRYWDKFYGYRM-UHFFFAOYSA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.13
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54904342
2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methoxybenzoic acid
CID 115412313
1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
CID 23849485
2-bromo-5-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]benzoic acid
CID 115296752
3-(2,4-dimethoxyphenyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 90554843
1-(2-bromo-4-methoxyphenyl)-3-propan-2-ylurea
CID 86768816
3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea
CID 78917161
2-bromo-N-ethyl-4-methoxyaniline
CID 130675906
3-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[(3-methoxyphenyl)methyl]-1-methylurea
CID 55695378
2-bromo-N-fluoro-4-methoxyaniline
CID 174521230
3-(4-aminophenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea
CID 60892761
(Z)-3-(2-bromo-4-methoxyanilino)-1,3-diphenylprop-2-en-1-one
CID 141419848

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea (CID 91662216) is 3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea is COc1ccc(NC(=O)N(C)CC(F)(F)F)c(Br)c1.
What is the InChIKey of 3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea?
The InChIKey is CAMRYWDKFYGYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2O2/c1-17(6-11(13,14)15)10(18)16-9-4-3-7(19-2)5-8(9)12/h3-5H,6H2,1-2H3,(H,16,18).
What are the key properties of 3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea?
3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea has a molecular weight of 341.13 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-methoxyphenyl)-1-methyl-1-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 91662216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).