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

C16H15BrN2O2 — CID 108905003

IUPAC1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea
SMILESCc1cc(O)ccc1NC(=O)N/C=C/c1ccccc1Br
InChIInChI=1S/C16H15BrN2O2/c1-11-10-13(20)6-7-15(11)19-16(21)18-9-8-12-4-2-3-5-14(12)17/h2-10,20H,1H3,(H2,18,19,21)/b9-8+
InChIKeyQMKBHNNNZFOHKD-CMDGGOBGSA-N
MW347.21 g/mol
LogP4.26
Rot. Bonds3

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

1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea (PubChem CID 108905003) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea
PubChem CID108905003
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea
SMILESCc1cc(O)ccc1NC(=O)N/C=C/c1ccccc1Br
InChIInChI=1S/C16H15BrN2O2/c1-11-10-13(20)6-7-15(11)19-16(21)18-9-8-12-4-2-3-5-14(12)17/h2-10,20H,1H3,(H2,18,19,21)/b9-8+
InChIKeyQMKBHNNNZFOHKD-CMDGGOBGSA-N
XLogP4.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-(2-fluorophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108904260
1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904116
1-(4-hydroxyphenyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903472
1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108905078
1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
CID 108904832
1-[(E)-2-(2-bromophenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108905244
1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903190
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108904840
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108904848
1-[(E)-2-(2-methylphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108903751
1-benzyl-3-[(E)-2-(2-bromophenyl)ethenyl]urea
CID 108905000
(E)-3-(4-bromophenyl)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
CID 17341892

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea?
The IUPAC name of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea (CID 108905003) is 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea.
What is the SMILES notation for 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea?
The canonical SMILES for 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea is Cc1cc(O)ccc1NC(=O)N/C=C/c1ccccc1Br.
What is the InChIKey of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea?
The InChIKey is QMKBHNNNZFOHKD-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-11-10-13(20)6-7-15(11)19-16(21)18-9-8-12-4-2-3-5-14(12)17/h2-10,20H,1H3,(H2,18,19,21)/b9-8+.
What are the key properties of 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea?
1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea has a molecular weight of 347.21 g/mol, XLogP of 4.26, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea is sourced from PubChem (CID 108905003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).