1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea

C16H15BrN2O2 — CID 61345655

IUPAC1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C16H15BrN2O2/c1-10-3-8-15(14(17)9-10)19-16(21)18-13-6-4-12(5-7-13)11(2)20/h3-9H,1-2H3,(H2,18,19,21)
InChIKeyVOWXUTYIYKKXJZ-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.60
Rot. Bonds3

About 1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea

1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea (PubChem CID 61345655) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea
PubChem CID61345655
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C16H15BrN2O2/c1-10-3-8-15(14(17)9-10)19-16(21)18-13-6-4-12(5-7-13)11(2)20/h3-9H,1-2H3,(H2,18,19,21)
InChIKeyVOWXUTYIYKKXJZ-UHFFFAOYSA-N
XLogP4.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4549529
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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea (CID 61345655) is 1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea is CC(=O)c1ccc(NC(=O)Nc2ccc(C)cc2Br)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea?
The InChIKey is VOWXUTYIYKKXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-10-3-8-15(14(17)9-10)19-16(21)18-13-6-4-12(5-7-13)11(2)20/h3-9H,1-2H3,(H2,18,19,21).
What are the key properties of 1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea?
1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea has a molecular weight of 347.21 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea is sourced from PubChem (CID 61345655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).