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

C17H19BrN2O — CID 108991649

IUPAC1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea
SMILESCc1cc(Br)ccc1NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H19BrN2O/c1-11(2)13-4-7-15(8-5-13)19-17(21)20-16-9-6-14(18)10-12(16)3/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyDWENEPYALQCIJZ-UHFFFAOYSA-N
MW347.26 g/mol
LogP5.52
Rot. Bonds3

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

1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea (PubChem CID 108991649) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea
PubChem CID108991649
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea
SMILESCc1cc(Br)ccc1NC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H19BrN2O/c1-11(2)13-4-7-15(8-5-13)19-17(21)20-16-9-6-14(18)10-12(16)3/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyDWENEPYALQCIJZ-UHFFFAOYSA-N
XLogP5.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.26
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991287
1-(4-bromo-2-methylphenyl)-3-(4-fluorophenyl)urea
CID 17262139
N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 99147022
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 31378015
1-(4-bromo-2-methylphenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61341059
1-(4-bromo-3-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991650
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
tris(1-(2-methylphenyl)-3-(4-propan-2-ylphenyl)urea);1-(3-methylphenyl)-3-(4-propan-2-ylphenyl)urea;1-(4-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 157479666
1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411
1-(4-bromo-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126030
1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839711
(E)-N-(4-bromo-2-methylphenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19227280

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea (CID 108991649) is 1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea is Cc1cc(Br)ccc1NC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea?
The InChIKey is DWENEPYALQCIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-11(2)13-4-7-15(8-5-13)19-17(21)20-16-9-6-14(18)10-12(16)3/h4-11H,1-3H3,(H2,19,20,21).
What are the key properties of 1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea?
1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea has a molecular weight of 347.26 g/mol, XLogP of 5.52, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 108991649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).