1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea

C18H16Cl2N2O3 — CID 113217861

IUPAC1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
SMILESO=C(NCc1c2c(cc3c1OCC3)OCC2)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H16Cl2N2O3/c19-11-1-2-14(20)15(8-11)22-18(23)21-9-13-12-4-6-24-16(12)7-10-3-5-25-17(10)13/h1-2,7-8H,3-6,9H2,(H2,21,22,23)
InChIKeyUMQNJESIHLKKNH-UHFFFAOYSA-N
MW379.24 g/mol
LogP4.18
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea

1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea (PubChem CID 113217861) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
PubChem CID113217861
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
SMILESO=C(NCc1c2c(cc3c1OCC3)OCC2)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C18H16Cl2N2O3/c19-11-1-2-14(20)15(8-11)22-18(23)21-9-13-12-4-6-24-16(12)7-10-3-5-25-17(10)13/h1-2,7-8H,3-6,9H2,(H2,21,22,23)
InChIKeyUMQNJESIHLKKNH-UHFFFAOYSA-N
XLogP4.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea with MolForge

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Related Compounds

1-(2,5-dichlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217694
1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217817
1-(2,4-dimethoxyphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217833
1-prop-2-enyl-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217708
1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217653
1-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 113217836
N-(3,5-dichlorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200103
N-(3,4-dichlorophenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200100
ethyl N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)carbamate
CID 113095323
3-bromo-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
CID 113095277
4-methoxy-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)benzamide
CID 113095281
1-(pyridin-4-ylmethyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199605

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?
The IUPAC name of 1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea (CID 113217861) is 1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?
The canonical SMILES for 1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea is O=C(NCc1c2c(cc3c1OCC3)OCC2)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?
The InChIKey is UMQNJESIHLKKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c19-11-1-2-14(20)15(8-11)22-18(23)21-9-13-12-4-6-24-16(12)7-10-3-5-25-17(10)13/h1-2,7-8H,3-6,9H2,(H2,21,22,23).
What are the key properties of 1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea?
1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea has a molecular weight of 379.24 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea is sourced from PubChem (CID 113217861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).