1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea

C17H19BrN2O3 — CID 108990571

IUPAC1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
SMILESCOc1ccc(OCCNC(=O)Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C17H19BrN2O3/c1-12-3-4-13(11-16(12)18)20-17(21)19-9-10-23-15-7-5-14(22-2)6-8-15/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyRPEJOPQSVPOMNK-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.97
Rot. Bonds6

About 1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea

1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea (PubChem CID 108990571) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
PubChem CID108990571
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
SMILESCOc1ccc(OCCNC(=O)Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C17H19BrN2O3/c1-12-3-4-13(11-16(12)18)20-17(21)19-9-10-23-15-7-5-14(22-2)6-8-15/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21)
InChIKeyRPEJOPQSVPOMNK-UHFFFAOYSA-N
XLogP3.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]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-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973207
N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 78892736
1-(3-bromo-4-methylphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 78874640
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973708
1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112974155
1-(4-bromo-3-methylphenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112974037
N-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethyl]-3-methoxybenzamide
CID 78874679
2-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463852
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
1-[4-(dimethylamino)phenyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108894850

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea (CID 108990571) is 1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea is COc1ccc(OCCNC(=O)Nc2ccc(C)c(Br)c2)cc1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea?
The InChIKey is RPEJOPQSVPOMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-12-3-4-13(11-16(12)18)20-17(21)19-9-10-23-15-7-5-14(22-2)6-8-15/h3-8,11H,9-10H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea?
1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea has a molecular weight of 379.25 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea is sourced from PubChem (CID 108990571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).