1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone

C17H20Cl2N2O3 — CID 178146515

IUPAC1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CCN(C(=O)c1cc(Cl)cc(Cl)c1O)C2
InChIInChI=1S/C17H20Cl2N2O3/c1-11(22)20-5-2-17(3-6-20)4-7-21(10-17)16(24)13-8-12(18)9-14(19)15(13)23/h8-9,23H,2-7,10H2,1H3
InChIKeyRFPZCCLQZRRFPP-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.17
Rot. Bonds1

About 1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone

1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 178146515) has the molecular formula C17H20Cl2N2O3 and a molecular weight of 371.26 g/mol. Its IUPAC name is 1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
PubChem CID178146515
Molecular FormulaC17H20Cl2N2O3
Molecular Weight371.26 g/mol
Exact Mass370.09
IUPAC Name1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CCN(C(=O)c1cc(Cl)cc(Cl)c1O)C2
InChIInChI=1S/C17H20Cl2N2O3/c1-11(22)20-5-2-17(3-6-20)4-7-21(10-17)16(24)13-8-12(18)9-14(19)15(13)23/h8-9,23H,2-7,10H2,1H3
InChIKeyRFPZCCLQZRRFPP-UHFFFAOYSA-N
XLogP3.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 45044872
1-(3,5-dichloro-2-iodobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146347
6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone
CID 155520631
(3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110763055
(2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 155561420
(5-chloro-2-propoxyphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
CID 71862158
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
N-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide
CID 178146375
(5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 117044861
1-[2-(4-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97449095
[2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone
CID 4296379
1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97407738

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 178146515) is 1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone is CC(=O)N1CCC2(CC1)CCN(C(=O)c1cc(Cl)cc(Cl)c1O)C2.
What is the InChIKey of 1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is RFPZCCLQZRRFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O3/c1-11(22)20-5-2-17(3-6-20)4-7-21(10-17)16(24)13-8-12(18)9-14(19)15(13)23/h8-9,23H,2-7,10H2,1H3.
What are the key properties of 1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 371.26 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 178146515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).