1-[2-(4-chlorophenyl)ethyl]-3-methylurea

C10H13ClN2O — CID 2805178

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-methylurea
SMILESCNC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O/c1-12-10(14)13-7-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H2,12,13,14)
InChIKeyZRPDBXOHWLNYSL-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.81
Rot. Bonds3

About 1-[2-(4-chlorophenyl)ethyl]-3-methylurea

1-[2-(4-chlorophenyl)ethyl]-3-methylurea (PubChem CID 2805178) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-methylurea
PubChem CID2805178
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-methylurea
SMILESCNC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O/c1-12-10(14)13-7-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H2,12,13,14)
InChIKeyZRPDBXOHWLNYSL-UHFFFAOYSA-N
XLogP1.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-methylurea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-methylurea (CID 2805178) is 1-[2-(4-chlorophenyl)ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-methylurea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-methylurea is CNC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-methylurea?
The InChIKey is ZRPDBXOHWLNYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-12-10(14)13-7-6-8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3,(H2,12,13,14).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-methylurea?
1-[2-(4-chlorophenyl)ethyl]-3-methylurea has a molecular weight of 212.68 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-methylurea is sourced from PubChem (CID 2805178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).