1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea

C10H10Cl2N2O2 — CID 54303648

IUPAC1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(OC(Cl)=CCl)cc1
InChIInChI=1S/C10H10Cl2N2O2/c1-13-10(15)14-7-2-4-8(5-3-7)16-9(12)6-11/h2-6H,1H3,(H2,13,14,15)
InChIKeySFYRFCREKQYNJK-UHFFFAOYSA-N
MW261.11 g/mol
LogP3.09
Rot. Bonds3

About 1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea

1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea (PubChem CID 54303648) has the molecular formula C10H10Cl2N2O2 and a molecular weight of 261.11 g/mol. Its IUPAC name is 1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea
PubChem CID54303648
Molecular FormulaC10H10Cl2N2O2
Molecular Weight261.11 g/mol
Exact Mass260.01
IUPAC Name1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(OC(Cl)=CCl)cc1
InChIInChI=1S/C10H10Cl2N2O2/c1-13-10(15)14-7-2-4-8(5-3-7)16-9(12)6-11/h2-6H,1H3,(H2,13,14,15)
InChIKeySFYRFCREKQYNJK-UHFFFAOYSA-N
XLogP3.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea?
The IUPAC name of 1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea (CID 54303648) is 1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea?
The canonical SMILES for 1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea is CNC(=O)Nc1ccc(OC(Cl)=CCl)cc1.
What is the InChIKey of 1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea?
The InChIKey is SFYRFCREKQYNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O2/c1-13-10(15)14-7-2-4-8(5-3-7)16-9(12)6-11/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea?
1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea has a molecular weight of 261.11 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2-dichloroethenoxy)phenyl]-3-methylurea is sourced from PubChem (CID 54303648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).