1-(3,4-dichlorophenyl)-3-(2-ethenoxyethyl)urea

C11H12Cl2N2O2 — CID 646703

IUPAC1-(3,4-dichlorophenyl)-3-(2-ethenoxyethyl)urea
SMILESC=COCCNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O2/c1-2-17-6-5-14-11(16)15-8-3-4-9(12)10(13)7-8/h2-4,7H,1,5-6H2,(H2,14,15,16)
InChIKeyJJSXSFVLJZHRET-UHFFFAOYSA-N
MW275.13 g/mol
LogP3.28
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-3-(2-ethenoxyethyl)urea

1-(3,4-dichlorophenyl)-3-(2-ethenoxyethyl)urea (PubChem CID 646703) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(2-ethenoxyethyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(2-ethenoxyethyl)urea
PubChem CID646703
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name1-(3,4-dichlorophenyl)-3-(2-ethenoxyethyl)urea
SMILESC=COCCNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H12Cl2N2O2/c1-2-17-6-5-14-11(16)15-8-3-4-9(12)10(13)7-8/h2-4,7H,1,5-6H2,(H2,14,15,16)
InChIKeyJJSXSFVLJZHRET-UHFFFAOYSA-N
XLogP3.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-ethenoxyethyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(2-ethenoxyethyl)urea (CID 646703) is 1-(3,4-dichlorophenyl)-3-(2-ethenoxyethyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(2-ethenoxyethyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(2-ethenoxyethyl)urea is C=COCCNC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(2-ethenoxyethyl)urea?
The InChIKey is JJSXSFVLJZHRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-2-17-6-5-14-11(16)15-8-3-4-9(12)10(13)7-8/h2-4,7H,1,5-6H2,(H2,14,15,16).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(2-ethenoxyethyl)urea?
1-(3,4-dichlorophenyl)-3-(2-ethenoxyethyl)urea has a molecular weight of 275.13 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(2-ethenoxyethyl)urea is sourced from PubChem (CID 646703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).