1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea

C13H9BrCl2N2O2 — CID 21184650

IUPAC1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea
SMILESO=C(Nc1ccccc1Br)Nc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H9BrCl2N2O2/c14-8-3-1-2-4-10(8)17-13(20)18-11-6-7(15)5-9(16)12(11)19/h1-6,19H,(H2,17,18,20)
InChIKeyXCDHYNNOCDUAGE-UHFFFAOYSA-N
MW376.04 g/mol
LogP5.11
Rot. Bonds2

About 1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea

1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea (PubChem CID 21184650) has the molecular formula C13H9BrCl2N2O2 and a molecular weight of 376.04 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea
PubChem CID21184650
Molecular FormulaC13H9BrCl2N2O2
Molecular Weight376.04 g/mol
Exact Mass373.92
IUPAC Name1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea
SMILESO=C(Nc1ccccc1Br)Nc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H9BrCl2N2O2/c14-8-3-1-2-4-10(8)17-13(20)18-11-6-7(15)5-9(16)12(11)19/h1-6,19H,(H2,17,18,20)
InChIKeyXCDHYNNOCDUAGE-UHFFFAOYSA-N
XLogP5.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.04
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea
CID 108868832
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-6-fluorobenzamide
CID 103891179
N-(3,5-dichloro-2-hydroxyphenyl)-2-hydroxybenzamide
CID 3067488
1-[3-(aminomethyl)-4-chloro-2-hydroxyphenyl]-3-(2-bromophenyl)urea;hydrochloride
CID 45263183
4-[(2-bromophenyl)carbamoylamino]-2-chlorobenzoic acid
CID 61398747
2-[4-[(2-bromophenyl)carbamoylamino]-3-chlorophenyl]acetic acid
CID 23512395
1-(2-bromophenyl)-3-(3-chloro-4-cyano-2-hydroxyphenyl)urea
CID 11245544
4-chloro-N-(3,5-dichloro-2-hydroxyphenyl)benzamide
CID 107675874
1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea
CID 22011338
3-[(2-bromophenyl)carbamoylamino]-2-hydroxybenzamide
CID 10383212
2-bromo-N-(3,5-dichloro-2-hydroxyphenyl)-3-methylbenzamide
CID 104625899
N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide
CID 107675571

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea?
The IUPAC name of 1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea (CID 21184650) is 1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea?
The canonical SMILES for 1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea is O=C(Nc1ccccc1Br)Nc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea?
The InChIKey is XCDHYNNOCDUAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O2/c14-8-3-1-2-4-10(8)17-13(20)18-11-6-7(15)5-9(16)12(11)19/h1-6,19H,(H2,17,18,20).
What are the key properties of 1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea?
1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea has a molecular weight of 376.04 g/mol, XLogP of 5.11, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(3,5-dichloro-2-hydroxyphenyl)urea is sourced from PubChem (CID 21184650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).