2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

C15H18Cl2N2O3 — CID 109003341

IUPAC2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H18Cl2N2O3/c16-12-2-1-11(9-13(12)17)18-10-14(20)19-5-3-15(4-6-19)21-7-8-22-15/h1-2,9,18H,3-8,10H2
InChIKeyAMKAEMNFNIENIU-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.77
Rot. Bonds3

About 2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone

2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (PubChem CID 109003341) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
PubChem CID109003341
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
SMILESO=C(CNc1ccc(Cl)c(Cl)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H18Cl2N2O3/c16-12-2-1-11(9-13(12)17)18-10-14(20)19-5-3-15(4-6-19)21-7-8-22-15/h1-2,9,18H,3-8,10H2
InChIKeyAMKAEMNFNIENIU-UHFFFAOYSA-N
XLogP2.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[(4s,5s)-5-(Aminomethyl)-2,2-Dimethyl-1,3-Dioxolan-4-Yl]methyl}-N'-(4-Chloro-3-Fluorophenyl)ethanediamide
CID 46198837
N-(3,4-Dichloro-phenyl)-2-morpholin-4-yl-acetamide
CID 23724340
N-(3,4-dichlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 5310159
(R)-N1-(1,4-dioxaspiro[4.4]nonan-2-ylmethyl)-N2-(4-chlorophenyl)oxalamide
CID 7423718
N-(3,4-dichlorophenyl)-2-[methyl-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]acetamide
CID 25641936
N'-(2,3-dichlorophenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 1598197
N-(3,4-dichlorophenyl)-N'-(prop-2-en-1-yl)ethanediamide
CID 2059044
N1-(1,4-dioxaspiro[4.4]nonan-2-ylmethyl)-N2-(3-chlorophenyl)oxalamide
CID 18584010
N-(4-Chlorophenyl)-4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-YL}-2-oxoethyl)-3-oxopiperazine-1-carboxamide
CID 50831342
N-(3,4-Dichlorophenyl)-2-morpholinoacetamide
CID 856064
N-(2,3-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 2112142
2-acetamido-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 17425801

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone (CID 109003341) is 2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is O=C(CNc1ccc(Cl)c(Cl)c1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is AMKAEMNFNIENIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c16-12-2-1-11(9-13(12)17)18-10-14(20)19-5-3-15(4-6-19)21-7-8-22-15/h1-2,9,18H,3-8,10H2.
What are the key properties of 2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone?
2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 345.23 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 109003341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).