1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea

C16H16BrClN2O2 — CID 2211517

IUPAC1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea
SMILESCCc1cc(Br)ccc1NC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C16H16BrClN2O2/c1-3-10-8-11(17)4-6-13(10)19-16(21)20-14-9-12(18)5-7-15(14)22-2/h4-9H,3H2,1-2H3,(H2,19,20,21)
InChIKeyHRXSJMXVRIQJMR-UHFFFAOYSA-N
MW383.67 g/mol
LogP5.32
Rot. Bonds4

About 1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea

1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea (PubChem CID 2211517) has the molecular formula C16H16BrClN2O2 and a molecular weight of 383.67 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea
PubChem CID2211517
Molecular FormulaC16H16BrClN2O2
Molecular Weight383.67 g/mol
Exact Mass382.01
IUPAC Name1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea
SMILESCCc1cc(Br)ccc1NC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C16H16BrClN2O2/c1-3-10-8-11(17)4-6-13(10)19-16(21)20-14-9-12(18)5-7-15(14)22-2/h4-9H,3H2,1-2H3,(H2,19,20,21)
InChIKeyHRXSJMXVRIQJMR-UHFFFAOYSA-N
XLogP5.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.67
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 60545784
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 46799772
4-bromo-N-(5-chloro-2-methoxyphenyl)-2-fluorobenzamide
CID 26688337
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
1-(5-chloro-2-methoxyphenyl)-3-(3,4-diethoxyphenyl)urea
CID 108875508
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
N-(4-bromo-2-ethylphenyl)-2-fluoro-6-methoxybenzamide
CID 81287800
1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39853453
1-(5-chloro-2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 108875486
1-(4-bromo-2-chlorophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 1296806
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea
CID 108914204

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea (CID 2211517) is 1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea is CCc1cc(Br)ccc1NC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea?
The InChIKey is HRXSJMXVRIQJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O2/c1-3-10-8-11(17)4-6-13(10)19-16(21)20-14-9-12(18)5-7-15(14)22-2/h4-9H,3H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea?
1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea has a molecular weight of 383.67 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea is sourced from PubChem (CID 2211517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).