1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea

C16H16BrClN2O — CID 81288618

IUPAC1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea
SMILESCCc1cc(Br)ccc1NC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C16H16BrClN2O/c1-3-11-8-12(17)5-7-15(11)20-16(21)19-13-6-4-10(2)14(18)9-13/h4-9H,3H2,1-2H3,(H2,19,20,21)
InChIKeyTUXANMHMLJIDJD-UHFFFAOYSA-N
MW367.67 g/mol
LogP5.62
Rot. Bonds3

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

1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea (PubChem CID 81288618) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea
PubChem CID81288618
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea
SMILESCCc1cc(Br)ccc1NC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C16H16BrClN2O/c1-3-11-8-12(17)5-7-15(11)20-16(21)19-13-6-4-10(2)14(18)9-13/h4-9H,3H2,1-2H3,(H2,19,20,21)
InChIKeyTUXANMHMLJIDJD-UHFFFAOYSA-N
XLogP5.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.67
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-ethylphenyl)-3-(4-cyanophenyl)urea
CID 81288018
1-(4-bromo-2-ethylphenyl)-3-(3-fluorophenyl)urea
CID 81290117
1-(4-bromo-2-ethylphenyl)-3-propylurea
CID 6467713
1-[2-(4-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108902232
1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 107640736
1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
CID 17217802
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 65499725
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
1-[2-(2-bromophenyl)ethyl]-3-(3-chloro-4-methylphenyl)urea
CID 108900450
1-(4-bromo-2-ethylphenyl)-3-(5-chloro-2-methoxyphenyl)urea
CID 2211517

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea (CID 81288618) is 1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea is CCc1cc(Br)ccc1NC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea?
The InChIKey is TUXANMHMLJIDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-3-11-8-12(17)5-7-15(11)20-16(21)19-13-6-4-10(2)14(18)9-13/h4-9H,3H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea?
1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea has a molecular weight of 367.67 g/mol, XLogP of 5.62, 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-(3-chloro-4-methylphenyl)urea is sourced from PubChem (CID 81288618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).