N-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide

C15H17Cl2NO3 — CID 112525319

IUPACN-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H17Cl2NO3/c16-11-2-1-3-12(17)13(11)18-14(19)10-4-6-15(7-5-10)20-8-9-21-15/h1-3,10H,4-9H2,(H,18,19)
InChIKeyLGTMMRSIYZLCME-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.87
Rot. Bonds2

About N-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide

N-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide (PubChem CID 112525319) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
PubChem CID112525319
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC NameN-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H17Cl2NO3/c16-11-2-1-3-12(17)13(11)18-14(19)10-4-6-15(7-5-10)20-8-9-21-15/h1-3,10H,4-9H2,(H,18,19)
InChIKeyLGTMMRSIYZLCME-UHFFFAOYSA-N
XLogP3.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112520650
N-(2,6-dichlorophenyl)cyclohexanecarboxamide
CID 897145
1-(2-chloro-6-methylphenyl)-3-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)urea
CID 99836340
N-(4-phenoxyphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112523910
N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112524042
1-(2-chlorophenyl)-3-(1,4-dioxaspiro[4.5]decan-8-yl)urea
CID 112729526
N-(1H-imidazol-2-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112524400
N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112525347
N-(2,6-dichlorophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 580436
N-(5-methyl-1H-pyrazol-4-yl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112521730
N-(2,6-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 45374342
N-(2,6-dichlorophenyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 65469174

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide (CID 112525319) is N-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide is O=C(Nc1c(Cl)cccc1Cl)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
The InChIKey is LGTMMRSIYZLCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c16-11-2-1-3-12(17)13(11)18-14(19)10-4-6-15(7-5-10)20-8-9-21-15/h1-3,10H,4-9H2,(H,18,19).
What are the key properties of N-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide?
N-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide has a molecular weight of 330.21 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 112525319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).