(3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C15H17Cl2NO4 — CID 110763055

IUPAC(3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H17Cl2NO4/c1-20-13-11(8-10(16)9-12(13)17)14(19)18-4-2-15(3-5-18)21-6-7-22-15/h8-9H,2-7H2,1H3
InChIKeyCFNGWBRMWNQQAR-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.98
Rot. Bonds2

About (3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 110763055) has the molecular formula C15H17Cl2NO4 and a molecular weight of 346.21 g/mol. Its IUPAC name is (3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID110763055
Molecular FormulaC15H17Cl2NO4
Molecular Weight346.21 g/mol
Exact Mass345.05
IUPAC Name(3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCOc1c(Cl)cc(Cl)cc1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H17Cl2NO4/c1-20-13-11(8-10(16)9-12(13)17)14(19)18-4-2-15(3-5-18)21-6-7-22-15/h8-9H,2-7H2,1H3
InChIKeyCFNGWBRMWNQQAR-UHFFFAOYSA-N
XLogP2.98
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(3,5-dichloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803307
1-[4-(3,5-dichloro-2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110800255
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2,4,5-trimethoxyphenyl)methanone
CID 17250139
(2-amino-5-chlorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78983632
(3,6-dichloro-2-methoxyphenyl)-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110396652
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(3,4,5-trimethoxyphenyl)methanone
CID 90510481
(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110763029
(3,5-dichloro-2-methoxyphenyl)-morpholin-4-ylmethanethione
CID 3274273
(5-tert-butyl-3-chloro-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 50882723
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4,5,6-trimethoxy-1H-indol-2-yl)methanone
CID 4893817
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 35436399
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one
CID 110694493

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 110763055) is (3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is COc1c(Cl)cc(Cl)cc1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of (3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is CFNGWBRMWNQQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO4/c1-20-13-11(8-10(16)9-12(13)17)14(19)18-4-2-15(3-5-18)21-6-7-22-15/h8-9H,2-7H2,1H3.
What are the key properties of (3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 346.21 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-methoxyphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 110763055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).