1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea

C17H19BrN2O2 — CID 112971083

IUPAC1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)NCCOc2ccccc2Br)c1
InChIInChI=1S/C17H19BrN2O2/c1-12-9-13(2)11-14(10-12)20-17(21)19-7-8-22-16-6-4-3-5-15(16)18/h3-6,9-11H,7-8H2,1-2H3,(H2,19,20,21)
InChIKeyCWBHKCFCGQAQHG-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.27
Rot. Bonds5

About 1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea

1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea (PubChem CID 112971083) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
PubChem CID112971083
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)NCCOc2ccccc2Br)c1
InChIInChI=1S/C17H19BrN2O2/c1-12-9-13(2)11-14(10-12)20-17(21)19-7-8-22-16-6-4-3-5-15(16)18/h3-6,9-11H,7-8H2,1-2H3,(H2,19,20,21)
InChIKeyCWBHKCFCGQAQHG-UHFFFAOYSA-N
XLogP4.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)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

1-(3,5-dimethylphenyl)-3-[2-(2-fluorophenoxy)ethyl]urea
CID 112970237
1-[2-(2,4-difluorophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112976199
1-[3-(2-bromo-4-tert-butylphenoxy)propyl]-3-(3,5-dimethylphenyl)urea
CID 108882159
1-[2-(3-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112971202
1-[2-(2-chlorophenoxy)ethyl]-3-(3-methylphenyl)urea
CID 112970623
1-(3,5-dimethylphenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975337
1-[2-(2-bromophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112971033
1-(4-bromo-3-methylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971484
1-(3,5-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47194755
N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
CID 113099538
1-(4-bromo-3-methylphenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112974037
1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973708

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea?
The IUPAC name of 1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea (CID 112971083) is 1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea.
What is the SMILES notation for 1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea?
The canonical SMILES for 1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea is Cc1cc(C)cc(NC(=O)NCCOc2ccccc2Br)c1.
What is the InChIKey of 1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea?
The InChIKey is CWBHKCFCGQAQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-12-9-13(2)11-14(10-12)20-17(21)19-7-8-22-16-6-4-3-5-15(16)18/h3-6,9-11H,7-8H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea?
1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea has a molecular weight of 363.26 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea is sourced from PubChem (CID 112971083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).