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

C16H15BrN2O2 — CID 108903814

IUPAC1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
SMILESCOc1ccccc1/C=C/NC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O2/c1-21-15-5-3-2-4-12(15)10-11-18-16(20)19-14-8-6-13(17)7-9-14/h2-11H,1H3,(H2,18,19,20)/b11-10+
InChIKeyYOTMQQLOGHULMZ-ZHACJKMWSA-N
MW347.21 g/mol
LogP4.25
Rot. Bonds4

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

1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea (PubChem CID 108903814) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
PubChem CID108903814
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
SMILESCOc1ccccc1/C=C/NC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O2/c1-21-15-5-3-2-4-12(15)10-11-18-16(20)19-14-8-6-13(17)7-9-14/h2-11H,1H3,(H2,18,19,20)/b11-10+
InChIKeyYOTMQQLOGHULMZ-ZHACJKMWSA-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

2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid
CID 108903974
1-(4-bromo-2-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904116
1-[(E)-2-(2-methoxyphenyl)ethenyl]-3-(3-nitrophenyl)urea
CID 108903915
1-[(E)-2-(2-methoxyphenyl)ethenyl]-3-naphthalen-1-ylurea
CID 108904029
1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904070
1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903849
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903908
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-methylphenyl)urea
CID 108908655
1-(4-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892052
1-(2-methoxy-4-nitrophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903913
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3,4-dimethoxyphenyl)urea
CID 108906792
1,1-diethyl-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904010

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea (CID 108903814) is 1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea is COc1ccccc1/C=C/NC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
The InChIKey is YOTMQQLOGHULMZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-21-15-5-3-2-4-12(15)10-11-18-16(20)19-14-8-6-13(17)7-9-14/h2-11H,1H3,(H2,18,19,20)/b11-10+.
What are the key properties of 1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea?
1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]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-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108903814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).