1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea

C17H19BrN2O2 — CID 112972120

IUPAC1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
SMILESCCc1ccc(OCCNC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O2/c1-2-13-3-9-16(10-4-13)22-12-11-19-17(21)20-15-7-5-14(18)6-8-15/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyOZFNOWJOTVJUBH-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.21
Rot. Bonds6

About 1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea

1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea (PubChem CID 112972120) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
PubChem CID112972120
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
SMILESCCc1ccc(OCCNC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O2/c1-2-13-3-9-16(10-4-13)22-12-11-19-17(21)20-15-7-5-14(18)6-8-15/h3-10H,2,11-12H2,1H3,(H2,19,20,21)
InChIKeyOZFNOWJOTVJUBH-UHFFFAOYSA-N
XLogP4.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)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-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
1-[4-(dimethylamino)phenyl]-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972144
1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112976719
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-(4-bromophenyl)-3-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]urea
CID 112977212
1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112972756
1-[2-(2-ethylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112971729
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
1-[2-(4-ethylphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112972178
1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973207
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea (CID 112972120) is 1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea is CCc1ccc(OCCNC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea?
The InChIKey is OZFNOWJOTVJUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-2-13-3-9-16(10-4-13)22-12-11-19-17(21)20-15-7-5-14(18)6-8-15/h3-10H,2,11-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea?
1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea has a molecular weight of 363.26 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea is sourced from PubChem (CID 112972120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).