2-(4-chlorophenyl)-N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide

C22H22ClNO3 — CID 113096362

IUPAC2-(4-chlorophenyl)-N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N(Cc1c2c(cc3c1OCC3)OCC2)C1CC1
InChIInChI=1S/C22H22ClNO3/c23-16-3-1-14(2-4-16)11-21(25)24(17-5-6-17)13-19-18-8-10-26-20(18)12-15-7-9-27-22(15)19/h1-4,12,17H,5-11,13H2
InChIKeyJVJDGYUCQALMFZ-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.94
Rot. Bonds5

About 2-(4-chlorophenyl)-N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide

2-(4-chlorophenyl)-N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide (PubChem CID 113096362) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide
PubChem CID113096362
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Name2-(4-chlorophenyl)-N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)N(Cc1c2c(cc3c1OCC3)OCC2)C1CC1
InChIInChI=1S/C22H22ClNO3/c23-16-3-1-14(2-4-16)11-21(25)24(17-5-6-17)13-19-18-8-10-26-20(18)12-15-7-9-27-22(15)19/h1-4,12,17H,5-11,13H2
InChIKeyJVJDGYUCQALMFZ-UHFFFAOYSA-N
XLogP3.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide (CID 113096362) is 2-(4-chlorophenyl)-N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide is O=C(Cc1ccc(Cl)cc1)N(Cc1c2c(cc3c1OCC3)OCC2)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide?
The InChIKey is JVJDGYUCQALMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3/c23-16-3-1-14(2-4-16)11-21(25)24(17-5-6-17)13-19-18-8-10-26-20(18)12-15-7-9-27-22(15)19/h1-4,12,17H,5-11,13H2.
What are the key properties of 2-(4-chlorophenyl)-N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide?
2-(4-chlorophenyl)-N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide has a molecular weight of 383.88 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)acetamide is sourced from PubChem (CID 113096362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).