5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide

C20H18ClNO4 — CID 17404054

IUPAC5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C20H18ClNO4/c21-13-3-5-15-12(9-13)10-18(24-15)19(23)22-14-4-6-16-17(11-14)26-20(25-16)7-1-2-8-20/h3-6,9,11,18H,1-2,7-8,10H2,(H,22,23)
InChIKeyDNPSXUKRLIJCBN-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.32
Rot. Bonds2

About 5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 17404054) has the molecular formula C20H18ClNO4 and a molecular weight of 371.82 g/mol. Its IUPAC name is 5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID17404054
Molecular FormulaC20H18ClNO4
Molecular Weight371.82 g/mol
Exact Mass371.09
IUPAC Name5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C20H18ClNO4/c21-13-3-5-15-12(9-13)10-18(24-15)19(23)22-14-4-6-16-17(11-14)26-20(25-16)7-1-2-8-20/h3-6,9,11,18H,1-2,7-8,10H2,(H,22,23)
InChIKeyDNPSXUKRLIJCBN-UHFFFAOYSA-N
XLogP4.32
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 17404054) is 5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is DNPSXUKRLIJCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO4/c21-13-3-5-15-12(9-13)10-18(24-15)19(23)22-14-4-6-16-17(11-14)26-20(25-16)7-1-2-8-20/h3-6,9,11,18H,1-2,7-8,10H2,(H,22,23).
What are the key properties of 5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17404054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).