6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone

C15H17Cl2NO2 — CID 155520631

IUPAC6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCCC2(CCC2)C1
InChIInChI=1S/C15H17Cl2NO2/c16-10-7-11(17)13(12(19)8-10)14(20)18-6-2-5-15(9-18)3-1-4-15/h7-8,19H,1-6,9H2
InChIKeyHTARMBWDZDAARU-UHFFFAOYSA-N
MW314.21 g/mol
LogP4.11
Rot. Bonds1

About 6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone

6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone (PubChem CID 155520631) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is 6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone.

Molecular Properties

Compound Name6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone
PubChem CID155520631
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCCC2(CCC2)C1
InChIInChI=1S/C15H17Cl2NO2/c16-10-7-11(17)13(12(19)8-10)14(20)18-6-2-5-15(9-18)3-1-4-15/h7-8,19H,1-6,9H2
InChIKeyHTARMBWDZDAARU-UHFFFAOYSA-N
XLogP4.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 155561420
4-(6-azaspiro[3.4]octane-6-carbonyl)-3-chloro-5-hydroxybenzamide
CID 155555884
N-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide
CID 96570730
1-[2-(3,5-dichloro-2-hydroxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 178146515
[1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea
CID 154739739
2,8-diazaspiro[5.5]undecan-2-yl-(2,6-dichlorophenyl)methanone
CID 102849563
(2,4-dichloro-6-hydroxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023032
(4-amino-5-chloro-2-methoxyphenyl)-(2-azaspiro[5.5]undecan-2-yl)methanone
CID 119784783
1-(6-azaspiro[3.5]nonan-6-yl)ethanone
CID 131019092
(2,6-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103890671
1-(5-chloro-2-methyl-1H-indole-3-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128988885
(6S)-8-(4-chloro-2-hydroxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97113251

Frequently Asked Questions

What is the IUPAC name of 6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone?
The IUPAC name of 6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone (CID 155520631) is 6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone.
What is the SMILES notation for 6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone?
The canonical SMILES for 6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone is O=C(c1c(O)cc(Cl)cc1Cl)N1CCCC2(CCC2)C1.
What is the InChIKey of 6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone?
The InChIKey is HTARMBWDZDAARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c16-10-7-11(17)13(12(19)8-10)14(20)18-6-2-5-15(9-18)3-1-4-15/h7-8,19H,1-6,9H2.
What are the key properties of 6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone?
6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone has a molecular weight of 314.21 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azaspiro[3.5]nonan-6-yl-(2,4-dichloro-6-hydroxyphenyl)methanone is sourced from PubChem (CID 155520631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).