1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea

C15H15BrN2O3 — CID 108892052

IUPAC1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
SMILESCOc1ccccc1OCNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O3/c1-20-13-4-2-3-5-14(13)21-10-17-15(19)18-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyNXFKYZYOZMRQSP-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.62
Rot. Bonds5

About 1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea

1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea (PubChem CID 108892052) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
PubChem CID108892052
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
SMILESCOc1ccccc1OCNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2O3/c1-20-13-4-2-3-5-14(13)21-10-17-15(19)18-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyNXFKYZYOZMRQSP-UHFFFAOYSA-N
XLogP3.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(2-methoxyphenoxy)methylcarbamoylamino]phenyl]acetamide
CID 108892060
1-(4-ethylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892216
1-(4-ethoxyphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892159
1-(2-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892327
1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894240
1-(2-bromo-4-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892354
1-(4-tert-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877331
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
1-(2-methoxy-5-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892166
N-[2-[(2-methoxyphenoxy)methylcarbamoylamino]ethyl]acetamide
CID 108892313
N-(4-bromophenyl)-2-(2-methoxyphenyl)acetamide
CID 2263112
1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea (CID 108892052) is 1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea is COc1ccccc1OCNC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea?
The InChIKey is NXFKYZYOZMRQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-20-13-4-2-3-5-14(13)21-10-17-15(19)18-12-8-6-11(16)7-9-12/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea?
1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea has a molecular weight of 351.20 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea is sourced from PubChem (CID 108892052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).