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

C18H21BrN2O3 — CID 112973207

IUPAC1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
SMILESCCOc1ccc(OCCNC(=O)Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C18H21BrN2O3/c1-3-23-15-6-8-16(9-7-15)24-11-10-20-18(22)21-14-5-4-13(2)17(19)12-14/h4-9,12H,3,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyGGLAQHPGCYCLJC-UHFFFAOYSA-N
MW393.28 g/mol
LogP4.36
Rot. Bonds7

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

1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea (PubChem CID 112973207) has the molecular formula C18H21BrN2O3 and a molecular weight of 393.28 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
PubChem CID112973207
Molecular FormulaC18H21BrN2O3
Molecular Weight393.28 g/mol
Exact Mass392.07
IUPAC Name1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
SMILESCCOc1ccc(OCCNC(=O)Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C18H21BrN2O3/c1-3-23-15-6-8-16(9-7-15)24-11-10-20-18(22)21-14-5-4-13(2)17(19)12-14/h4-9,12H,3,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyGGLAQHPGCYCLJC-UHFFFAOYSA-N
XLogP4.36
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.28
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990571
1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea
CID 27871438
N-[4-[2-(4-ethoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 112973214
1-(3-bromo-4-methylphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 78874640
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112975715
1-[2-(4-chlorophenoxy)ethyl]-3-(4-ethoxyphenyl)urea
CID 112970962
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
2-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463852
1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973189
1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea
CID 56824215

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea (CID 112973207) is 1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea is CCOc1ccc(OCCNC(=O)Nc2ccc(C)c(Br)c2)cc1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea?
The InChIKey is GGLAQHPGCYCLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O3/c1-3-23-15-6-8-16(9-7-15)24-11-10-20-18(22)21-14-5-4-13(2)17(19)12-14/h4-9,12H,3,10-11H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea?
1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea has a molecular weight of 393.28 g/mol, XLogP of 4.36, 7 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-ethoxyphenoxy)ethyl]urea is sourced from PubChem (CID 112973207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).