1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea

C17H19BrN2O2 — CID 108893462

IUPAC1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea
SMILESCCc1ccccc1OCNC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C17H19BrN2O2/c1-3-13-6-4-5-7-16(13)22-11-19-17(21)20-15-9-8-14(18)10-12(15)2/h4-10H,3,11H2,1-2H3,(H2,19,20,21)
InChIKeyONWFOFFGNOLYDD-UHFFFAOYSA-N
MW363.26 g/mol
LogP4.48
Rot. Bonds5

About 1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea

1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea (PubChem CID 108893462) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea
PubChem CID108893462
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea
SMILESCCc1ccccc1OCNC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C17H19BrN2O2/c1-3-13-6-4-5-7-16(13)22-11-19-17(21)20-15-9-8-14(18)10-12(15)2/h4-10H,3,11H2,1-2H3,(H2,19,20,21)
InChIKeyONWFOFFGNOLYDD-UHFFFAOYSA-N
XLogP4.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-ethylphenoxy)methyl]-3-phenylurea
CID 108893317
1-(2,5-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893476
1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea
CID 108878458
1-[(2-ethylphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108893488
1-[(2-ethylphenoxy)methyl]-3-pyrimidin-2-ylurea
CID 108893308
1-(4-bromo-2-methylphenyl)-3-(3-phenoxypropyl)urea
CID 108883260
1-[(2-ethylphenoxy)methyl]-3-(4-fluorophenyl)urea
CID 108893256
1-(2,6-difluorophenyl)-3-[(2-ethylphenoxy)methyl]urea
CID 108893321
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
1-[(2-ethylphenoxy)methyl]-3-(3-fluorophenyl)urea
CID 108893435
1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108878288
1-[(2-ethylphenoxy)methyl]-3-(2-nitrophenyl)urea
CID 108893161

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea (CID 108893462) is 1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea is CCc1ccccc1OCNC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea?
The InChIKey is ONWFOFFGNOLYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-3-13-6-4-5-7-16(13)22-11-19-17(21)20-15-9-8-14(18)10-12(15)2/h4-10H,3,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea?
1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea has a molecular weight of 363.26 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-3-[(2-ethylphenoxy)methyl]urea is sourced from PubChem (CID 108893462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).