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

C17H17BrN2O — CID 108906906

IUPAC1-[(E)-2-(3-bromophenyl)ethenyl]-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(=O)N/C=C/c2cccc(Br)c2)c1C
InChIInChI=1S/C17H17BrN2O/c1-12-5-3-8-16(13(12)2)20-17(21)19-10-9-14-6-4-7-15(18)11-14/h3-11H,1-2H3,(H2,19,20,21)/b10-9+
InChIKeyIRHDIDFTFSOSRT-MDZDMXLPSA-N
MW345.24 g/mol
LogP4.86
Rot. Bonds3

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

1-[(E)-2-(3-bromophenyl)ethenyl]-3-(2,3-dimethylphenyl)urea (PubChem CID 108906906) 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-(2,3-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(3-bromophenyl)ethenyl]-3-(2,3-dimethylphenyl)urea
PubChem CID108906906
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name1-[(E)-2-(3-bromophenyl)ethenyl]-3-(2,3-dimethylphenyl)urea
SMILESCc1cccc(NC(=O)N/C=C/c2cccc(Br)c2)c1C
InChIInChI=1S/C17H17BrN2O/c1-12-5-3-8-16(13(12)2)20-17(21)19-10-9-14-6-4-7-15(18)11-14/h3-11H,1-2H3,(H2,19,20,21)/b10-9+
InChIKeyIRHDIDFTFSOSRT-MDZDMXLPSA-N
XLogP4.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(2-methylphenyl)methyl]urea
CID 108907123
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(6-methyl-2-pyridinyl)urea
CID 108906986
1-(3-chloro-2-methylphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905323
4-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzenesulfonic acid
CID 108906803
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 108906932
1-(2,3-dimethylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904298
3-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzoic acid
CID 108906795
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea
CID 108906934
1-(2-hydroxyphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905408
1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea
CID 108907013
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3,4-dimethoxyphenyl)urea
CID 108906792
3-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzenesulfonic acid
CID 108906804

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(2,3-dimethylphenyl)urea?
The IUPAC name of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(2,3-dimethylphenyl)urea (CID 108906906) is 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(2,3-dimethylphenyl)urea.
What is the SMILES notation for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(2,3-dimethylphenyl)urea?
The canonical SMILES for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(2,3-dimethylphenyl)urea is Cc1cccc(NC(=O)N/C=C/c2cccc(Br)c2)c1C.
What is the InChIKey of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(2,3-dimethylphenyl)urea?
The InChIKey is IRHDIDFTFSOSRT-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-12-5-3-8-16(13(12)2)20-17(21)19-10-9-14-6-4-7-15(18)11-14/h3-11H,1-2H3,(H2,19,20,21)/b10-9+.
What are the key properties of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(2,3-dimethylphenyl)urea?
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(2,3-dimethylphenyl)urea has a molecular weight of 345.24 g/mol, XLogP of 4.86, 3 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-(2,3-dimethylphenyl)urea is sourced from PubChem (CID 108906906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).