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

C17H17BrN2O — CID 108905638

IUPAC1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
SMILESCc1cccc(/C=C/NC(=O)NCc2ccc(Br)cc2)c1
InChIInChI=1S/C17H17BrN2O/c1-13-3-2-4-14(11-13)9-10-19-17(21)20-12-15-5-7-16(18)8-6-15/h2-11H,12H2,1H3,(H2,19,20,21)/b10-9+
InChIKeyQEXNNDKXOGEFJV-MDZDMXLPSA-N
MW345.24 g/mol
LogP4.23
Rot. Bonds4

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

1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea (PubChem CID 108905638) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
PubChem CID108905638
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
SMILESCc1cccc(/C=C/NC(=O)NCc2ccc(Br)cc2)c1
InChIInChI=1S/C17H17BrN2O/c1-13-3-2-4-14(11-13)9-10-19-17(21)20-12-15-5-7-16(18)8-6-15/h2-11H,12H2,1H3,(H2,19,20,21)/b10-9+
InChIKeyQEXNNDKXOGEFJV-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-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea
CID 108906179
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108906861
1-[(E)-2-(3-methylphenyl)ethenyl]-3-prop-2-enylurea
CID 108905502
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(3-chlorophenyl)methyl]urea
CID 108907128
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
CID 108907123
1-[2-(4-bromophenyl)ethyl]-3-[(E)-2-(3-chlorophenyl)ethenyl]urea
CID 108906770
1-butan-2-yl-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905352
4-[[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]methyl]benzoic acid
CID 108906209
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905537
(E)-3-(3-aminophenyl)-N-[(4-bromophenyl)methyl]prop-2-enamide
CID 115342686
1-(2-hydroxyphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905408

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The IUPAC name of 1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea (CID 108905638) is 1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea is Cc1cccc(/C=C/NC(=O)NCc2ccc(Br)cc2)c1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
The InChIKey is QEXNNDKXOGEFJV-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-13-3-2-4-14(11-13)9-10-19-17(21)20-12-15-5-7-16(18)8-6-15/h2-11H,12H2,1H3,(H2,19,20,21)/b10-9+.
What are the key properties of 1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea?
1-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]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-[(4-bromophenyl)methyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea is sourced from PubChem (CID 108905638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).