1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea

C11H13ClN2O — CID 108909779

IUPAC1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H13ClN2O/c1-8(2)7-13-11(15)14-10-6-4-3-5-9(10)12/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyUWWQRZQSLXJVDY-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.39
Rot. Bonds2

About 1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea

1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea (PubChem CID 108909779) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea
PubChem CID108909779
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea
SMILESCC(C)=CNC(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H13ClN2O/c1-8(2)7-13-11(15)14-10-6-4-3-5-9(10)12/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyUWWQRZQSLXJVDY-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylphenyl)-3-(2-methylprop-1-enyl)urea
CID 108909998
1-(2-chlorophenyl)-3-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]urea
CID 15365155
1-(4-chlorophenyl)-3-(2-methylprop-1-enyl)urea
CID 108909875
N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
CID 47103341
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
N-(2-chlorophenyl)-2-phenylpropanamide
CID 70678301
1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904209
1-(2,6-dimethylphenyl)-3-(2-methylprop-1-enyl)urea
CID 108910047
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
4-(2-chloroanilino)-3-methyl-4-oxobut-2-enoic acid
CID 5056060
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea (CID 108909779) is 1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea is CC(C)=CNC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea?
The InChIKey is UWWQRZQSLXJVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-8(2)7-13-11(15)14-10-6-4-3-5-9(10)12/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea?
1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea has a molecular weight of 224.69 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2-methylprop-1-enyl)urea is sourced from PubChem (CID 108909779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).