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

C15H12BrClN2O — CID 108904832

IUPAC1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1ccccc1Cl)Nc1ccccc1Br
InChIInChI=1S/C15H12BrClN2O/c16-12-6-2-4-8-14(12)19-15(20)18-10-9-11-5-1-3-7-13(11)17/h1-10H,(H2,18,19,20)/b10-9+
InChIKeyHEKURHLOJMRKKG-MDZDMXLPSA-N
MW351.63 g/mol
LogP4.89
Rot. Bonds3

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

1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea (PubChem CID 108904832) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
PubChem CID108904832
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC Name1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
SMILESO=C(N/C=C/c1ccccc1Cl)Nc1ccccc1Br
InChIInChI=1S/C15H12BrClN2O/c16-12-6-2-4-8-14(12)19-15(20)18-10-9-11-5-1-3-7-13(11)17/h1-10H,(H2,18,19,20)/b10-9+
InChIKeyHEKURHLOJMRKKG-MDZDMXLPSA-N
XLogP4.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904209
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108904840
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108904841
1-(2-bromophenyl)-3-(2,6-dichlorophenyl)urea
CID 108868832
butyl 2-[[(E)-2-(2-chlorophenyl)ethenyl]carbamoylamino]benzoate
CID 108904666
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1,3-thiazol-2-yl)urea
CID 108904701
1-[(E)-2-(2-bromophenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108905078
1-[(E)-2-(2-bromophenyl)ethenyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108905003
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-[4-(diethylamino)-2-methylphenyl]urea chloride
CID 108904848
(E)-N-(2-bromophenyl)-3-(2,6-dichlorophenyl)prop-2-enamide
CID 1001666
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108904876
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea
CID 108904684

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea (CID 108904832) is 1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea is O=C(N/C=C/c1ccccc1Cl)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea?
The InChIKey is HEKURHLOJMRKKG-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H12BrClN2O/c16-12-6-2-4-8-14(12)19-15(20)18-10-9-11-5-1-3-7-13(11)17/h1-10H,(H2,18,19,20)/b10-9+.
What are the key properties of 1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea?
1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea has a molecular weight of 351.63 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea is sourced from PubChem (CID 108904832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).