1-carbamoyl-1-(2-chlorophenyl)-3-ethylurea

C10H12ClN3O2 — CID 3059244

IUPAC1-carbamoyl-1-(2-chlorophenyl)-3-ethylurea
SMILESCCNC(=O)N(C(N)=O)c1ccccc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-2-13-10(16)14(9(12)15)8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H2,12,15)(H,13,16)
InChIKeyGQACKZCCIQWSEE-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.95
Rot. Bonds2

About 1-carbamoyl-1-(2-chlorophenyl)-3-ethylurea

1-carbamoyl-1-(2-chlorophenyl)-3-ethylurea (PubChem CID 3059244) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 1-carbamoyl-1-(2-chlorophenyl)-3-ethylurea.

Molecular Properties

Compound Name1-carbamoyl-1-(2-chlorophenyl)-3-ethylurea
PubChem CID3059244
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name1-carbamoyl-1-(2-chlorophenyl)-3-ethylurea
SMILESCCNC(=O)N(C(N)=O)c1ccccc1Cl
InChIInChI=1S/C10H12ClN3O2/c1-2-13-10(16)14(9(12)15)8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H2,12,15)(H,13,16)
InChIKeyGQACKZCCIQWSEE-UHFFFAOYSA-N
XLogP1.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-carbamoyl-1-(2-chlorophenyl)-3-ethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-1-(2-chlorophenyl)-3-ethylurea?
The IUPAC name of 1-carbamoyl-1-(2-chlorophenyl)-3-ethylurea (CID 3059244) is 1-carbamoyl-1-(2-chlorophenyl)-3-ethylurea.
What is the SMILES notation for 1-carbamoyl-1-(2-chlorophenyl)-3-ethylurea?
The canonical SMILES for 1-carbamoyl-1-(2-chlorophenyl)-3-ethylurea is CCNC(=O)N(C(N)=O)c1ccccc1Cl.
What is the InChIKey of 1-carbamoyl-1-(2-chlorophenyl)-3-ethylurea?
The InChIKey is GQACKZCCIQWSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c1-2-13-10(16)14(9(12)15)8-6-4-3-5-7(8)11/h3-6H,2H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 1-carbamoyl-1-(2-chlorophenyl)-3-ethylurea?
1-carbamoyl-1-(2-chlorophenyl)-3-ethylurea has a molecular weight of 241.68 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-1-(2-chlorophenyl)-3-ethylurea is sourced from PubChem (CID 3059244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).