3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide

C24H28Cl2N2O — CID 129134913

IUPAC3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide
SMILESO=C(NC1CCCC12CCN(CCc1ccccc1)CC2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H28Cl2N2O/c25-20-9-8-19(17-21(20)26)23(29)27-22-7-4-11-24(22)12-15-28(16-13-24)14-10-18-5-2-1-3-6-18/h1-3,5-6,8-9,17,22H,4,7,10-16H2,(H,27,29)
InChIKeyUVTMFENTZKRZAB-UHFFFAOYSA-N
MW431.41 g/mol
LogP5.60
Rot. Bonds5

About 3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide

3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide (PubChem CID 129134913) has the molecular formula C24H28Cl2N2O and a molecular weight of 431.41 g/mol. Its IUPAC name is 3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide
PubChem CID129134913
Molecular FormulaC24H28Cl2N2O
Molecular Weight431.41 g/mol
Exact Mass430.16
IUPAC Name3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide
SMILESO=C(NC1CCCC12CCN(CCc1ccccc1)CC2)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H28Cl2N2O/c25-20-9-8-19(17-21(20)26)23(29)27-22-7-4-11-24(22)12-15-28(16-13-24)14-10-18-5-2-1-3-6-18/h1-3,5-6,8-9,17,22H,4,7,10-16H2,(H,27,29)
InChIKeyUVTMFENTZKRZAB-UHFFFAOYSA-N
XLogP5.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.41
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide?
The IUPAC name of 3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide (CID 129134913) is 3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide is O=C(NC1CCCC12CCN(CCc1ccccc1)CC2)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide?
The InChIKey is UVTMFENTZKRZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28Cl2N2O/c25-20-9-8-19(17-21(20)26)23(29)27-22-7-4-11-24(22)12-15-28(16-13-24)14-10-18-5-2-1-3-6-18/h1-3,5-6,8-9,17,22H,4,7,10-16H2,(H,27,29).
What are the key properties of 3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide?
3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide has a molecular weight of 431.41 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[8-(2-phenylethyl)-8-azaspiro[4.5]decan-4-yl]benzamide is sourced from PubChem (CID 129134913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).