2-(3,4-dichlorophenyl)-N-methyl-N-[(7R,8R)-7-pyrrolidin-3-yl-2-oxaspiro[4.5]decan-8-yl]acetamide

C22H30Cl2N2O2 — CID 70494482

IUPAC2-(3,4-dichlorophenyl)-N-methyl-N-[(7R,8R)-7-pyrrolidin-3-yl-2-oxaspiro[4.5]decan-8-yl]acetamide
SMILESCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCC2(CCOC2)C[C@@H]1C1CCNC1
InChIInChI=1S/C22H30Cl2N2O2/c1-26(21(27)11-15-2-3-18(23)19(24)10-15)20-4-6-22(7-9-28-14-22)12-17(20)16-5-8-25-13-16/h2-3,10,16-17,20,25H,4-9,11-14H2,1H3/t16?,17-,20-,22?/m1/s1
InChIKeyFAEDPYVEGWZDFP-DHLYWDTCSA-N
MW425.40 g/mol
LogP4.18
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-methyl-N-[(7R,8R)-7-pyrrolidin-3-yl-2-oxaspiro[4.5]decan-8-yl]acetamide

2-(3,4-dichlorophenyl)-N-methyl-N-[(7R,8R)-7-pyrrolidin-3-yl-2-oxaspiro[4.5]decan-8-yl]acetamide (PubChem CID 70494482) has the molecular formula C22H30Cl2N2O2 and a molecular weight of 425.40 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methyl-N-[(7R,8R)-7-pyrrolidin-3-yl-2-oxaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methyl-N-[(7R,8R)-7-pyrrolidin-3-yl-2-oxaspiro[4.5]decan-8-yl]acetamide
PubChem CID70494482
Molecular FormulaC22H30Cl2N2O2
Molecular Weight425.40 g/mol
Exact Mass424.17
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-N-[(7R,8R)-7-pyrrolidin-3-yl-2-oxaspiro[4.5]decan-8-yl]acetamide
SMILESCN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCC2(CCOC2)C[C@@H]1C1CCNC1
InChIInChI=1S/C22H30Cl2N2O2/c1-26(21(27)11-15-2-3-18(23)19(24)10-15)20-4-6-22(7-9-28-14-22)12-17(20)16-5-8-25-13-16/h2-3,10,16-17,20,25H,4-9,11-14H2,1H3/t16?,17-,20-,22?/m1/s1
InChIKeyFAEDPYVEGWZDFP-DHLYWDTCSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-[(7R,8R)-7-pyrrolidin-3-yl-2-oxaspiro[4.5]decan-8-yl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-[(7R,8R)-7-pyrrolidin-3-yl-2-oxaspiro[4.5]decan-8-yl]acetamide (CID 70494482) is 2-(3,4-dichlorophenyl)-N-methyl-N-[(7R,8R)-7-pyrrolidin-3-yl-2-oxaspiro[4.5]decan-8-yl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-N-[(7R,8R)-7-pyrrolidin-3-yl-2-oxaspiro[4.5]decan-8-yl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-N-[(7R,8R)-7-pyrrolidin-3-yl-2-oxaspiro[4.5]decan-8-yl]acetamide is CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCC2(CCOC2)C[C@@H]1C1CCNC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-N-[(7R,8R)-7-pyrrolidin-3-yl-2-oxaspiro[4.5]decan-8-yl]acetamide?
The InChIKey is FAEDPYVEGWZDFP-DHLYWDTCSA-N. The full InChI is InChI=1S/C22H30Cl2N2O2/c1-26(21(27)11-15-2-3-18(23)19(24)10-15)20-4-6-22(7-9-28-14-22)12-17(20)16-5-8-25-13-16/h2-3,10,16-17,20,25H,4-9,11-14H2,1H3/t16?,17-,20-,22?/m1/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-N-[(7R,8R)-7-pyrrolidin-3-yl-2-oxaspiro[4.5]decan-8-yl]acetamide?
2-(3,4-dichlorophenyl)-N-methyl-N-[(7R,8R)-7-pyrrolidin-3-yl-2-oxaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 425.40 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methyl-N-[(7R,8R)-7-pyrrolidin-3-yl-2-oxaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 70494482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).