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

C17H17BrN2O — CID 108907123

IUPAC1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)N/C=C/c1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O/c1-13-5-2-3-7-15(13)12-20-17(21)19-10-9-14-6-4-8-16(18)11-14/h2-11H,12H2,1H3,(H2,19,20,21)/b10-9+
InChIKeyXTCZJLUPMBVGPJ-MDZDMXLPSA-N
MW345.24 g/mol
LogP4.23
Rot. Bonds4

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

1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea (PubChem CID 108907123) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
PubChem CID108907123
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
SMILESCc1ccccc1CNC(=O)N/C=C/c1cccc(Br)c1
InChIInChI=1S/C17H17BrN2O/c1-13-5-2-3-7-15(13)12-20-17(21)19-10-9-14-6-4-8-16(18)11-14/h2-11H,12H2,1H3,(H2,19,20,21)/b10-9+
InChIKeyXTCZJLUPMBVGPJ-MDZDMXLPSA-N
XLogP4.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(4-bromophenyl)methyl]urea
CID 108907130
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108906861
1-[(2-bromophenyl)methyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
CID 108906751
1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905638
1-[(E)-2-(2-fluorophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
CID 108904515
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea
CID 108907152
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea
CID 108906986
1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea
CID 108907013
1-[(3-bromophenyl)methyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908245
(E)-3-(3-bromophenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 7924760
1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea
CID 108906847
4-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzenesulfonic acid
CID 108906803

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea?
The IUPAC name of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea (CID 108907123) is 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea?
The canonical SMILES for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea is Cc1ccccc1CNC(=O)N/C=C/c1cccc(Br)c1.
What is the InChIKey of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea?
The InChIKey is XTCZJLUPMBVGPJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-13-5-2-3-7-15(13)12-20-17(21)19-10-9-14-6-4-8-16(18)11-14/h2-11H,12H2,1H3,(H2,19,20,21)/b10-9+.
What are the key properties of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea?
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea has a molecular weight of 345.24 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea is sourced from PubChem (CID 108907123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).