1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea

C15H13BrN2O2 — CID 108908757

IUPAC1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea
SMILESO=C(N/C=C/c1ccc(Br)cc1)Nc1ccccc1O
InChIInChI=1S/C15H13BrN2O2/c16-12-7-5-11(6-8-12)9-10-17-15(20)18-13-3-1-2-4-14(13)19/h1-10,19H,(H2,17,18,20)/b10-9+
InChIKeyVMYRFYSXOJIUBG-MDZDMXLPSA-N
MW333.19 g/mol
LogP3.95
Rot. Bonds3

About 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea

1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea (PubChem CID 108908757) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea
PubChem CID108908757
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea
SMILESO=C(N/C=C/c1ccc(Br)cc1)Nc1ccccc1O
InChIInChI=1S/C15H13BrN2O2/c16-12-7-5-11(6-8-12)9-10-17-15(20)18-13-3-1-2-4-14(13)19/h1-10,19H,(H2,17,18,20)/b10-9+
InChIKeyVMYRFYSXOJIUBG-MDZDMXLPSA-N
XLogP3.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.95
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-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-nitrophenyl)urea
CID 108908653
ethyl 2-[[(E)-2-(4-bromophenyl)ethenyl]carbamoylamino]benzoate
CID 108908681
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108908654
1-(2-hydroxyphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905408
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea
CID 108908655
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea
CID 174580380
1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907333
1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea
CID 108908760
1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea
CID 108910603
1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea
CID 108908688
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea
CID 108908790
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea
CID 108908815

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea?
The IUPAC name of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea (CID 108908757) is 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea.
What is the SMILES notation for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea?
The canonical SMILES for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea is O=C(N/C=C/c1ccc(Br)cc1)Nc1ccccc1O.
What is the InChIKey of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea?
The InChIKey is VMYRFYSXOJIUBG-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-12-7-5-11(6-8-12)9-10-17-15(20)18-13-3-1-2-4-14(13)19/h1-10,19H,(H2,17,18,20)/b10-9+.
What are the key properties of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea?
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea has a molecular weight of 333.19 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea is sourced from PubChem (CID 108908757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).