1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea

C25H22Cl2N2O2 — CID 15285317

IUPAC1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea
SMILESCCc1cccc(CC)c1NC(=O)Nc1oc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C25H22Cl2N2O2/c1-3-15-8-7-9-16(4-2)23(15)28-25(30)29-24-22(18-10-5-6-11-20(18)27)19-14-17(26)12-13-21(19)31-24/h5-14H,3-4H2,1-2H3,(H2,28,29,30)
InChIKeyDPJBWTJPNLWSAN-UHFFFAOYSA-N
MW453.37 g/mol
LogP8.18
Rot. Bonds5

About 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea

1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea (PubChem CID 15285317) has the molecular formula C25H22Cl2N2O2 and a molecular weight of 453.37 g/mol. Its IUPAC name is 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea.

Molecular Properties

Compound Name1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea
PubChem CID15285317
Molecular FormulaC25H22Cl2N2O2
Molecular Weight453.37 g/mol
Exact Mass452.11
IUPAC Name1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea
SMILESCCc1cccc(CC)c1NC(=O)Nc1oc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C25H22Cl2N2O2/c1-3-15-8-7-9-16(4-2)23(15)28-25(30)29-24-22(18-10-5-6-11-20(18)27)19-14-17(26)12-13-21(19)31-24/h5-14H,3-4H2,1-2H3,(H2,28,29,30)
InChIKeyDPJBWTJPNLWSAN-UHFFFAOYSA-N
XLogP8.18
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.37
LogP ≤ 58.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea 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-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea?
The IUPAC name of 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea (CID 15285317) is 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea.
What is the SMILES notation for 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea?
The canonical SMILES for 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea is CCc1cccc(CC)c1NC(=O)Nc1oc2ccc(Cl)cc2c1-c1ccccc1Cl.
What is the InChIKey of 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea?
The InChIKey is DPJBWTJPNLWSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N2O2/c1-3-15-8-7-9-16(4-2)23(15)28-25(30)29-24-22(18-10-5-6-11-20(18)27)19-14-17(26)12-13-21(19)31-24/h5-14H,3-4H2,1-2H3,(H2,28,29,30).
What are the key properties of 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea?
1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea has a molecular weight of 453.37 g/mol, XLogP of 8.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea is sourced from PubChem (CID 15285317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).