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

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Related Compounds

1-[5-chloro-3-(2-methylsulfanylphenyl)-1-benzofuran-2-yl]-3-(2,6-diethylphenyl)urea
CID 18688796
1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-[2-(dimethylamino)-6-methylphenyl]urea
CID 15285324
1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea
CID 15285310
1-[3-(2-chlorophenyl)-5-[(dimethylamino)methyl]-1-benzofuran-2-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 18688876
1-[3-(2-chlorophenyl)-5-methyl-1-benzothiophen-2-yl]-3-(2,6-diethylphenyl)urea
CID 18688881
1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
CID 4994979
N-(2,5-dichlorophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108500926
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
ethyl 3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-carboxylate
CID 18688795
2-[5-chloro-3-[2-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 18987486
1-[(2,4-dichlorophenyl)methyl]-N-(2,6-diethylphenyl)piperidine-4-carboxamide
CID 43923773
1-[5-chloro-3-(2-methylphenyl)-2-benzofuran-1-yl]-3-(2,6-dimethoxyphenyl)urea
CID 57093691

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).