1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea

C15H14Br2N2O — CID 17217802

IUPAC1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
SMILESCCc1cc(Br)ccc1NC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H14Br2N2O/c1-2-10-9-11(16)7-8-13(10)18-15(20)19-14-6-4-3-5-12(14)17/h3-9H,2H2,1H3,(H2,18,19,20)
InChIKeyMEZCJLDKUAHAIR-UHFFFAOYSA-N
MW398.10 g/mol
LogP5.42
Rot. Bonds3

About 1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea

1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea (PubChem CID 17217802) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
PubChem CID17217802
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
SMILESCCc1cc(Br)ccc1NC(=O)Nc1ccccc1Br
InChIInChI=1S/C15H14Br2N2O/c1-2-10-9-11(16)7-8-13(10)18-15(20)19-14-6-4-3-5-12(14)17/h3-9H,2H2,1H3,(H2,18,19,20)
InChIKeyMEZCJLDKUAHAIR-UHFFFAOYSA-N
XLogP5.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.10
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 6467713
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N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
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CID 81288018
N-(4-bromo-2-ethylphenyl)-2-sulfanylacetamide
CID 81289356
1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea
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3-(4-bromo-2-ethylphenyl)-1,1-diethylurea
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2-amino-N-(4-bromo-2-ethylphenyl)acetamide;hydrochloride
CID 119291314
N-(4-bromo-2-methylphenyl)-N'-(2-bromophenyl)oxamide
CID 108531900
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CID 108530383

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea (CID 17217802) is 1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea is CCc1cc(Br)ccc1NC(=O)Nc1ccccc1Br.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea?
The InChIKey is MEZCJLDKUAHAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c1-2-10-9-11(16)7-8-13(10)18-15(20)19-14-6-4-3-5-12(14)17/h3-9H,2H2,1H3,(H2,18,19,20).
What are the key properties of 1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea?
1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea has a molecular weight of 398.10 g/mol, XLogP of 5.42, 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-ethylphenyl)-3-(2-bromophenyl)urea is sourced from PubChem (CID 17217802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).