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

C16H15BrN2O — CID 108908655

IUPAC1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrN2O/c1-12-2-8-15(9-3-12)19-16(20)18-11-10-13-4-6-14(17)7-5-13/h2-11H,1H3,(H2,18,19,20)/b11-10+
InChIKeyJMMAFOLTKXTMKR-ZHACJKMWSA-N
MW331.21 g/mol
LogP4.55
Rot. Bonds3

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

1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea (PubChem CID 108908655) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea
PubChem CID108908655
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H15BrN2O/c1-12-2-8-15(9-3-12)19-16(20)18-11-10-13-4-6-14(17)7-5-13/h2-11H,1H3,(H2,18,19,20)/b11-10+
InChIKeyJMMAFOLTKXTMKR-ZHACJKMWSA-N
XLogP4.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-acetylphenyl)-3-[(E)-2-(4-bromophenyl)ethenyl]urea
CID 108908760
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-ethylphenyl)urea
CID 108908815
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-cyanophenyl)urea
CID 108908790
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907165
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108908654
1-(4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909389
1-(4-bromophenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906048
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108908828
1-[(E)-2-(4-bromophenyl)ethenyl]-3-propan-2-ylurea
CID 108908688
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea
CID 108908757
1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907333
3-[[(E)-2-(4-methylphenyl)ethenyl]carbamoylamino]benzenesulfonic acid
CID 108907176

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea (CID 108908655) is 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)N/C=C/c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea?
The InChIKey is JMMAFOLTKXTMKR-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-12-2-8-15(9-3-12)19-16(20)18-11-10-13-4-6-14(17)7-5-13/h2-11H,1H3,(H2,18,19,20)/b11-10+.
What are the key properties of 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea?
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea has a molecular weight of 331.21 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 108908655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).