2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide

C20H18ClN5O4 — CID 39016671

IUPAC2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
SMILESO=C(Cn1nnn(-c2ccccc2Cl)c1=O)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C20H18ClN5O4/c21-14-5-1-2-6-15(14)26-19(28)25(23-24-26)12-18(27)22-13-7-8-16-17(11-13)30-20(29-16)9-3-4-10-20/h1-2,5-8,11H,3-4,9-10,12H2,(H,22,27)
InChIKeyOYQPJYCFSZEKAT-UHFFFAOYSA-N
MW427.85 g/mol
LogP2.76
Rot. Bonds4

About 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide

2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide (PubChem CID 39016671) has the molecular formula C20H18ClN5O4 and a molecular weight of 427.85 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
PubChem CID39016671
Molecular FormulaC20H18ClN5O4
Molecular Weight427.85 g/mol
Exact Mass427.10
IUPAC Name2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
SMILESO=C(Cn1nnn(-c2ccccc2Cl)c1=O)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C20H18ClN5O4/c21-14-5-1-2-6-15(14)26-19(28)25(23-24-26)12-18(27)22-13-7-8-16-17(11-13)30-20(29-16)9-3-4-10-20/h1-2,5-8,11H,3-4,9-10,12H2,(H,22,27)
InChIKeyOYQPJYCFSZEKAT-UHFFFAOYSA-N
XLogP2.76
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chloro-3-nitrophenyl)-2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetamide
CID 24582205
2-(2-oxopyrrolidin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 17474217
1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide
CID 43000658
2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 17495957
2-(2-oxoquinoxalin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 8891989
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-naphthalen-1-ylacetamide
CID 41402404
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 38065001
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 24599485
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17454179
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 37238121
2-(methylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 120703453
4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide
CID 17476459

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide (CID 39016671) is 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide is O=C(Cn1nnn(-c2ccccc2Cl)c1=O)Nc1ccc2c(c1)OC1(CCCC1)O2.
What is the InChIKey of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
The InChIKey is OYQPJYCFSZEKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O4/c21-14-5-1-2-6-15(14)26-19(28)25(23-24-26)12-18(27)22-13-7-8-16-17(11-13)30-20(29-16)9-3-4-10-20/h1-2,5-8,11H,3-4,9-10,12H2,(H,22,27).
What are the key properties of 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide has a molecular weight of 427.85 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide is sourced from PubChem (CID 39016671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).