2-(3,4-dichlorophenyl)-N-[(7R,8R)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]acetamide;hydrochloride

C18H25Cl3N2O3 — CID 70546041

IUPAC2-(3,4-dichlorophenyl)-N-[(7R,8R)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]acetamide;hydrochloride
SMILESCN(C)[C@@H]1CCC2(C[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1)OCCO2.Cl
InChIInChI=1S/C18H24Cl2N2O3.ClH/c1-22(2)16-5-6-18(24-7-8-25-18)11-15(16)21-17(23)10-12-3-4-13(19)14(20)9-12;/h3-4,9,15-16H,5-8,10-11H2,1-2H3,(H,21,23);1H/t15-,16-;/m1./s1
InChIKeyLTDCKJAPXRPTLY-QNBGGDODSA-N
MW423.77 g/mol
LogP3.30
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-[(7R,8R)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]acetamide;hydrochloride

2-(3,4-dichlorophenyl)-N-[(7R,8R)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]acetamide;hydrochloride (PubChem CID 70546041) has the molecular formula C18H25Cl3N2O3 and a molecular weight of 423.77 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[(7R,8R)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[(7R,8R)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]acetamide;hydrochloride
PubChem CID70546041
Molecular FormulaC18H25Cl3N2O3
Molecular Weight423.77 g/mol
Exact Mass422.09
IUPAC Name2-(3,4-dichlorophenyl)-N-[(7R,8R)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]acetamide;hydrochloride
SMILESCN(C)[C@@H]1CCC2(C[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1)OCCO2.Cl
InChIInChI=1S/C18H24Cl2N2O3.ClH/c1-22(2)16-5-6-18(24-7-8-25-18)11-15(16)21-17(23)10-12-3-4-13(19)14(20)9-12;/h3-4,9,15-16H,5-8,10-11H2,1-2H3,(H,21,23);1H/t15-,16-;/m1./s1
InChIKeyLTDCKJAPXRPTLY-QNBGGDODSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.77
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-N-[9-(2,5-dihydropyrrol-1-yl)-1,4-dioxaspiro[4.6]undecan-8-yl]-N-methylacetamide
CID 23315593
2-(3,4-dichlorophenyl)-N-methyl-N-(7-pyrrolidin-1-yl-1,4-dioxaspiro[4.5]decan-8-yl)ethanethioamide
CID 20517845
2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 169447588
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
N-[2-(bromomethyl)cyclohexyl]-2-(3,4-dichlorophenyl)acetamide
CID 106367187
2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide
CID 18206629
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2-(3,4-dichlorophenyl)acetamide
CID 155917808
8-[(3,4-dichlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane
CID 10756681
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide
CID 91774837
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
2-(3,4-dichlorophenyl)-N-[(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-N-methylacetamide;hydrochloride
CID 54611533

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[(7R,8R)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]acetamide;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[(7R,8R)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]acetamide;hydrochloride (CID 70546041) is 2-(3,4-dichlorophenyl)-N-[(7R,8R)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[(7R,8R)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[(7R,8R)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]acetamide;hydrochloride is CN(C)[C@@H]1CCC2(C[C@H]1NC(=O)Cc1ccc(Cl)c(Cl)c1)OCCO2.Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[(7R,8R)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]acetamide;hydrochloride?
The InChIKey is LTDCKJAPXRPTLY-QNBGGDODSA-N. The full InChI is InChI=1S/C18H24Cl2N2O3.ClH/c1-22(2)16-5-6-18(24-7-8-25-18)11-15(16)21-17(23)10-12-3-4-13(19)14(20)9-12;/h3-4,9,15-16H,5-8,10-11H2,1-2H3,(H,21,23);1H/t15-,16-;/m1./s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-[(7R,8R)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]acetamide;hydrochloride?
2-(3,4-dichlorophenyl)-N-[(7R,8R)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]acetamide;hydrochloride has a molecular weight of 423.77 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[(7R,8R)-8-(dimethylamino)-1,4-dioxaspiro[4.5]decan-7-yl]acetamide;hydrochloride is sourced from PubChem (CID 70546041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).