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

C16H15BrN2O2 — CID 108906934

IUPAC1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)N/C=C/c2cccc(Br)c2)c1
InChIInChI=1S/C16H15BrN2O2/c1-21-15-7-3-6-14(11-15)19-16(20)18-9-8-12-4-2-5-13(17)10-12/h2-11H,1H3,(H2,18,19,20)/b9-8+
InChIKeyMAYSJUIJPPINOR-CMDGGOBGSA-N
MW347.21 g/mol
LogP4.25
Rot. Bonds4

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

1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea (PubChem CID 108906934) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea
PubChem CID108906934
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)N/C=C/c2cccc(Br)c2)c1
InChIInChI=1S/C16H15BrN2O2/c1-21-15-7-3-6-14(11-15)19-16(20)18-9-8-12-4-2-5-13(17)10-12/h2-11H,1H3,(H2,18,19,20)/b9-8+
InChIKeyMAYSJUIJPPINOR-CMDGGOBGSA-N
XLogP4.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3,4-dimethoxyphenyl)urea
CID 108906792
3-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzoic acid
CID 108906795
1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea
CID 108907013
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-nitrophenyl)urea
CID 108905776
N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide
CID 108907739
3-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzenesulfonic acid
CID 108906804
1-[(E)-2-(3-bromophenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108906861
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
4-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzenesulfonic acid
CID 108906803
N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide
CID 108903270
1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905825
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea (CID 108906934) is 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)N/C=C/c2cccc(Br)c2)c1.
What is the InChIKey of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea?
The InChIKey is MAYSJUIJPPINOR-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-21-15-7-3-6-14(11-15)19-16(20)18-9-8-12-4-2-5-13(17)10-12/h2-11H,1H3,(H2,18,19,20)/b9-8+.
What are the key properties of 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea?
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea has a molecular weight of 347.21 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 108906934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).