1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea

C17H19BrN2O2 — CID 108992103

IUPAC1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccccc2OC(C)C)c(Br)c1
InChIInChI=1S/C17H19BrN2O2/c1-11(2)22-16-7-5-4-6-15(16)20-17(21)19-14-9-8-12(3)10-13(14)18/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyAGOPEJOZBHDKQL-UHFFFAOYSA-N
MW363.26 g/mol
LogP5.19
Rot. Bonds4

About 1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea

1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea (PubChem CID 108992103) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.26 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea
PubChem CID108992103
Molecular FormulaC17H19BrN2O2
Molecular Weight363.26 g/mol
Exact Mass362.06
IUPAC Name1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccccc2OC(C)C)c(Br)c1
InChIInChI=1S/C17H19BrN2O2/c1-11(2)22-16-7-5-4-6-15(16)20-17(21)19-14-9-8-12(3)10-13(14)18/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyAGOPEJOZBHDKQL-UHFFFAOYSA-N
XLogP5.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.26
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 54784461
1-amino-3-(2-propan-2-yloxyphenyl)urea
CID 82283845
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide
CID 1001609
1-[2-(2,5-dimethylphenoxy)ethyl]-3-(2-propan-2-yloxyphenyl)urea
CID 112973546
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150877
1-N-(3-methylphenyl)-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049370
1-N-(2,4-dimethylphenyl)-1-N'-(2-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981252
1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108991373
N-(4-methyl-2-propan-2-yloxyphenyl)acetamide
CID 71514157
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea (CID 108992103) is 1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea is Cc1ccc(NC(=O)Nc2ccccc2OC(C)C)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea?
The InChIKey is AGOPEJOZBHDKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-11(2)22-16-7-5-4-6-15(16)20-17(21)19-14-9-8-12(3)10-13(14)18/h4-11H,1-3H3,(H2,19,20,21).
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea?
1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea has a molecular weight of 363.26 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3-(2-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 108992103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).