1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide

C22H21ClN2O4 — CID 43000658

IUPAC1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C22H21ClN2O4/c23-16-5-1-2-6-17(16)25-13-14(11-20(25)26)21(27)24-15-7-8-18-19(12-15)29-22(28-18)9-3-4-10-22/h1-2,5-8,12,14H,3-4,9-11,13H2,(H,24,27)
InChIKeyWHRMZWVKLMUNHB-UHFFFAOYSA-N
MW412.87 g/mol
LogP4.37
Rot. Bonds3

About 1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide

1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide (PubChem CID 43000658) has the molecular formula C22H21ClN2O4 and a molecular weight of 412.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide
PubChem CID43000658
Molecular FormulaC22H21ClN2O4
Molecular Weight412.87 g/mol
Exact Mass412.12
IUPAC Name1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C22H21ClN2O4/c23-16-5-1-2-6-17(16)25-13-14(11-20(25)26)21(27)24-15-7-8-18-19(12-15)29-22(28-18)9-3-4-10-22/h1-2,5-8,12,14H,3-4,9-11,13H2,(H,24,27)
InChIKeyWHRMZWVKLMUNHB-UHFFFAOYSA-N
XLogP4.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
(3S)-1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 804381
(3S)-1-(2-chlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26721715
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide
CID 8893980
1-(2-chlorophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2967716
(3R)-1-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 26955907
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159175
(3R)-1-(2-chlorophenyl)-N-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7304214
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 39016671
3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid
CID 119252112

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide (CID 43000658) is 1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide is O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide?
The InChIKey is WHRMZWVKLMUNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4/c23-16-5-1-2-6-17(16)25-13-14(11-20(25)26)21(27)24-15-7-8-18-19(12-15)29-22(28-18)9-3-4-10-22/h1-2,5-8,12,14H,3-4,9-11,13H2,(H,24,27).
What are the key properties of 1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide?
1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide has a molecular weight of 412.87 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 43000658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).