(3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone

C16H19Cl2NO4 — CID 110396652

IUPAC(3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C16H19Cl2NO4/c1-21-14-12(18)4-3-11(17)13(14)15(20)19-7-5-16(6-8-19)22-9-2-10-23-16/h3-4H,2,5-10H2,1H3
InChIKeyBPLOJRFKAJOOKF-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.37
Rot. Bonds2

About (3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone

(3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 110396652) has the molecular formula C16H19Cl2NO4 and a molecular weight of 360.24 g/mol. Its IUPAC name is (3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID110396652
Molecular FormulaC16H19Cl2NO4
Molecular Weight360.24 g/mol
Exact Mass359.07
IUPAC Name(3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)N1CCC2(CC1)OCCCO2
InChIInChI=1S/C16H19Cl2NO4/c1-21-14-12(18)4-3-11(17)13(14)15(20)19-7-5-16(6-8-19)22-9-2-10-23-16/h3-4H,2,5-10H2,1H3
InChIKeyBPLOJRFKAJOOKF-UHFFFAOYSA-N
XLogP3.37
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3,6-dichloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110755240
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3,4,5-trimethoxyphenyl)methanone
CID 90510481
(3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110763055
[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 108567728
6-chloro-1'-(3,6-dichloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735063
[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 110328475
(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110763029
1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726253
methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 110396649
(4-tert-butylphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 90510436
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 110764959
1-[4-(3,6-dichloro-2-methoxybenzoyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108569916

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 110396652) is (3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone is COc1c(Cl)ccc(Cl)c1C(=O)N1CCC2(CC1)OCCCO2.
What is the InChIKey of (3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is BPLOJRFKAJOOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO4/c1-21-14-12(18)4-3-11(17)13(14)15(20)19-7-5-16(6-8-19)22-9-2-10-23-16/h3-4H,2,5-10H2,1H3.
What are the key properties of (3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone?
(3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 360.24 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 110396652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).