1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea

C17H19BrN2O3 — CID 112971232

IUPAC1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NCCOc1cccc(Br)c1
InChIInChI=1S/C17H19BrN2O3/c1-12-6-7-16(22-2)15(10-12)20-17(21)19-8-9-23-14-5-3-4-13(18)11-14/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyDHPGIDJORMOKPY-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.97
Rot. Bonds6

About 1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea

1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 112971232) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is 1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID112971232
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)NCCOc1cccc(Br)c1
InChIInChI=1S/C17H19BrN2O3/c1-12-6-7-16(22-2)15(10-12)20-17(21)19-8-9-23-14-5-3-4-13(18)11-14/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeyDHPGIDJORMOKPY-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'}

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969963
1-[2-(3-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112971202
1-(3-bromophenyl)-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975399
1-[2-(3-bromophenoxy)ethyl]-3-(5-chloro-2-methylphenyl)urea
CID 112971220
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,5-dimethoxyphenyl)urea
CID 112972775
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 38155146
1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892166
1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990551
1-[2-(3-bromophenoxy)ethyl]-3-propan-2-ylurea
CID 47329489
1-[2-(3-bromophenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112971155
1-[2-(3-bromophenoxy)ethyl]-3-propylurea
CID 47130861

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea (CID 112971232) is 1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)NCCOc1cccc(Br)c1.
What is the InChIKey of 1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is DHPGIDJORMOKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c1-12-6-7-16(22-2)15(10-12)20-17(21)19-8-9-23-14-5-3-4-13(18)11-14/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea?
1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)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-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 112971232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).