1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea

C11H13ClN2O — CID 115640170

IUPAC1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea
SMILESC=C(Cl)CNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C11H13ClN2O/c1-8-3-5-10(6-4-8)14-11(15)13-7-9(2)12/h3-6H,2,7H2,1H3,(H2,13,14,15)
InChIKeyZVZAYNUKTMCAAG-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.87
Rot. Bonds3

About 1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea

1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea (PubChem CID 115640170) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea
PubChem CID115640170
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea
SMILESC=C(Cl)CNC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C11H13ClN2O/c1-8-3-5-10(6-4-8)14-11(15)13-7-9(2)12/h3-6H,2,7H2,1H3,(H2,13,14,15)
InChIKeyZVZAYNUKTMCAAG-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-[(4-methylphenyl)carbamoylamino]acetamide
CID 17432752
2-[(4-methylphenyl)carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 51579223
2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 134003780
1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea
CID 15490432
1-[2-(methylamino)ethyl]-3-(4-methylphenyl)urea
CID 62659113
1-(methoxymethyl)-3-(4-methylphenyl)urea
CID 110675978
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
[(4-methylphenyl)carbamoylamino]methylphosphonic acid
CID 159634843
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-(4-chlorophenyl)-3-(2-oxopropyl)urea
CID 64994340
1-[(2,6-dimethylphenyl)methyl]-3-(4-methylphenyl)urea
CID 67763936
1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
CID 3712236

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea (CID 115640170) is 1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea is C=C(Cl)CNC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea?
The InChIKey is ZVZAYNUKTMCAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-8-3-5-10(6-4-8)14-11(15)13-7-9(2)12/h3-6H,2,7H2,1H3,(H2,13,14,15).
What are the key properties of 1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea?
1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea has a molecular weight of 224.69 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 115640170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).