1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2-methoxyphenyl)urea

C22H16Cl2N2O3 — CID 15285314

IUPAC1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1oc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C22H16Cl2N2O3/c1-28-19-9-5-4-8-17(19)25-22(27)26-21-20(14-6-2-3-7-16(14)24)15-12-13(23)10-11-18(15)29-21/h2-12H,1H3,(H2,25,26,27)
InChIKeyGADHAVCFEBCQKG-UHFFFAOYSA-N
MW427.29 g/mol
LogP7.06
Rot. Bonds4

About 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2-methoxyphenyl)urea

1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2-methoxyphenyl)urea (PubChem CID 15285314) has the molecular formula C22H16Cl2N2O3 and a molecular weight of 427.29 g/mol. Its IUPAC name is 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2-methoxyphenyl)urea
PubChem CID15285314
Molecular FormulaC22H16Cl2N2O3
Molecular Weight427.29 g/mol
Exact Mass426.05
IUPAC Name1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1oc2ccc(Cl)cc2c1-c1ccccc1Cl
InChIInChI=1S/C22H16Cl2N2O3/c1-28-19-9-5-4-8-17(19)25-22(27)26-21-20(14-6-2-3-7-16(14)24)15-12-13(23)10-11-18(15)29-21/h2-12H,1H3,(H2,25,26,27)
InChIKeyGADHAVCFEBCQKG-UHFFFAOYSA-N
XLogP7.06
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.29
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2-methoxyphenyl)urea (CID 15285314) is 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1oc2ccc(Cl)cc2c1-c1ccccc1Cl.
What is the InChIKey of 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is GADHAVCFEBCQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N2O3/c1-28-19-9-5-4-8-17(19)25-22(27)26-21-20(14-6-2-3-7-16(14)24)15-12-13(23)10-11-18(15)29-21/h2-12H,1H3,(H2,25,26,27).
What are the key properties of 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2-methoxyphenyl)urea?
1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 427.29 g/mol, XLogP of 7.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-(2-chlorophenyl)-1-benzofuran-2-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 15285314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).