1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea

C13H17ClN2O2 — CID 108914204

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea
SMILESCC/C(C)=C/NC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C13H17ClN2O2/c1-4-9(2)8-15-13(17)16-11-7-10(14)5-6-12(11)18-3/h5-8H,4H2,1-3H3,(H2,15,16,17)/b9-8+
InChIKeyYIZMDOOBWTVCCG-CMDGGOBGSA-N
MW268.74 g/mol
LogP3.78
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea (PubChem CID 108914204) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea
PubChem CID108914204
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea
SMILESCC/C(C)=C/NC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C13H17ClN2O2/c1-4-9(2)8-15-13(17)16-11-7-10(14)5-6-12(11)18-3/h5-8H,4H2,1-3H3,(H2,15,16,17)/b9-8+
InChIKeyYIZMDOOBWTVCCG-CMDGGOBGSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
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CID 108910159
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
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CID 51928333
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1-(5-chloro-2-methoxyphenyl)-3-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea (CID 108914204) is 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea is CC/C(C)=C/NC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea?
The InChIKey is YIZMDOOBWTVCCG-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-4-9(2)8-15-13(17)16-11-7-10(14)5-6-12(11)18-3/h5-8H,4H2,1-3H3,(H2,15,16,17)/b9-8+.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea has a molecular weight of 268.74 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-methylbut-1-enyl]urea is sourced from PubChem (CID 108914204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).