1-(3-chloro-4-methylphenyl)-3-cyclopropylurea

C11H13ClN2O — CID 6469220

IUPAC1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
SMILESCc1ccc(NC(=O)NC2CC2)cc1Cl
InChIInChI=1S/C11H13ClN2O/c1-7-2-3-9(6-10(7)12)14-11(15)13-8-4-5-8/h2-3,6,8H,4-5H2,1H3,(H2,13,14,15)
InChIKeyQMJOOKNZVFNQJR-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.93
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-3-cyclopropylurea

1-(3-chloro-4-methylphenyl)-3-cyclopropylurea (PubChem CID 6469220) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
PubChem CID6469220
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
SMILESCc1ccc(NC(=O)NC2CC2)cc1Cl
InChIInChI=1S/C11H13ClN2O/c1-7-2-3-9(6-10(7)12)14-11(15)13-8-4-5-8/h2-3,6,8H,4-5H2,1H3,(H2,13,14,15)
InChIKeyQMJOOKNZVFNQJR-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 24528836
1-(3-chloro-4-methylphenyl)-3-piperidin-3-ylurea
CID 63321445
1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
CID 47127436
1-(3,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 17279067
N'-(3-chloro-4-methylphenyl)-N-cycloheptylpropanediamide
CID 108951589
1-(3-chloro-4-methylsulfanylphenyl)-3-(1-methylpiperidin-4-yl)urea
CID 71864855
1-(3-chloro-4-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876749
2-N-(3-chloro-4-methylphenyl)-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078522
1-(3-chloro-4-methylphenyl)-3-(2-methylpiperidin-3-yl)urea
CID 114695150
1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea
CID 43652933
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-cyclopropylurea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-cyclopropylurea (CID 6469220) is 1-(3-chloro-4-methylphenyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-cyclopropylurea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-cyclopropylurea is Cc1ccc(NC(=O)NC2CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-cyclopropylurea?
The InChIKey is QMJOOKNZVFNQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7-2-3-9(6-10(7)12)14-11(15)13-8-4-5-8/h2-3,6,8H,4-5H2,1H3,(H2,13,14,15).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-cyclopropylurea?
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea has a molecular weight of 224.69 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-cyclopropylurea is sourced from PubChem (CID 6469220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).