3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea

C17H18BrClN2O2 — CID 52593166

IUPAC3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea
SMILESCc1ccc(NC(=O)N(C)CCOc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C17H18BrClN2O2/c1-12-3-8-16(15(18)11-12)20-17(22)21(2)9-10-23-14-6-4-13(19)5-7-14/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyGMWRSOPACBDWMP-UHFFFAOYSA-N
MW397.70 g/mol
LogP4.95
Rot. Bonds5

About 3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea

3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea (PubChem CID 52593166) has the molecular formula C17H18BrClN2O2 and a molecular weight of 397.70 g/mol. Its IUPAC name is 3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea
PubChem CID52593166
Molecular FormulaC17H18BrClN2O2
Molecular Weight397.70 g/mol
Exact Mass396.02
IUPAC Name3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea
SMILESCc1ccc(NC(=O)N(C)CCOc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C17H18BrClN2O2/c1-12-3-8-16(15(18)11-12)20-17(22)21(2)9-10-23-14-6-4-13(19)5-7-14/h3-8,11H,9-10H2,1-2H3,(H,20,22)
InChIKeyGMWRSOPACBDWMP-UHFFFAOYSA-N
XLogP4.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.70
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea 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

3-(2-bromo-4-methylphenyl)-1-ethyl-1-methylurea
CID 78917161
N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
CID 7695554
3-(2-cyano-4-fluorophenyl)-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
CID 78839337
2-[3-(4-chlorophenoxy)propyl-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 60507371
N-[(2-bromo-4-methylphenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide
CID 19188606
4-chloro-N-[4-[[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]amino]phenyl]-N-methylbenzamide
CID 60577621
1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-pyridin-3-ylurea
CID 18101732
N-(2-bromo-4-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 7751301
1-[2-(4-chlorophenoxy)ethyl]-1-methyl-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044681
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide
CID 60589214
3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
CID 60600491

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea?
The IUPAC name of 3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea (CID 52593166) is 3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea.
What is the SMILES notation for 3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea?
The canonical SMILES for 3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea is Cc1ccc(NC(=O)N(C)CCOc2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of 3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea?
The InChIKey is GMWRSOPACBDWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2O2/c1-12-3-8-16(15(18)11-12)20-17(22)21(2)9-10-23-14-6-4-13(19)5-7-14/h3-8,11H,9-10H2,1-2H3,(H,20,22).
What are the key properties of 3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea?
3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea has a molecular weight of 397.70 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-methylphenyl)-1-[2-(4-chlorophenoxy)ethyl]-1-methylurea is sourced from PubChem (CID 52593166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).