1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea

C20H21ClN2O3 — CID 113217653

IUPAC1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NCCc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C20H21ClN2O3/c1-12-16(21)3-2-4-17(12)23-20(24)22-8-5-15-14-7-10-25-18(14)11-13-6-9-26-19(13)15/h2-4,11H,5-10H2,1H3,(H2,22,23,24)
InChIKeyJVPHVDLOYUNLRN-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.88
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea

1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea (PubChem CID 113217653) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
PubChem CID113217653
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
SMILESCc1c(Cl)cccc1NC(=O)NCCc1c2c(cc3c1OCC3)OCC2
InChIInChI=1S/C20H21ClN2O3/c1-12-16(21)3-2-4-17(12)23-20(24)22-8-5-15-14-7-10-25-18(14)11-13-6-9-26-19(13)15/h2-4,11H,5-10H2,1H3,(H2,22,23,24)
InChIKeyJVPHVDLOYUNLRN-UHFFFAOYSA-N
XLogP3.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]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-(2,5-dimethylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217632
1-(4-chlorophenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217652
1-[(4-methylphenyl)methyl]-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea
CID 113217578
2,2-dimethyl-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]propanamide
CID 113095519
1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217817
N-(2-ethylphenyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxamide
CID 113200025
N-(2-methylphenyl)-2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetamide
CID 113199463
1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 108891823
3-chloro-N-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]benzenesulfonamide
CID 113095616
1-(3-phenylpropyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199636
1-[2-(4-methoxyphenyl)ethyl]-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)urea
CID 113199612

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea (CID 113217653) is 1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea is Cc1c(Cl)cccc1NC(=O)NCCc1c2c(cc3c1OCC3)OCC2.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea?
The InChIKey is JVPHVDLOYUNLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-12-16(21)3-2-4-17(12)23-20(24)22-8-5-15-14-7-10-25-18(14)11-13-6-9-26-19(13)15/h2-4,11H,5-10H2,1H3,(H2,22,23,24).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea?
1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea has a molecular weight of 372.85 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-[2-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethyl]urea is sourced from PubChem (CID 113217653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).