2-(3-chloro-4-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C18H22ClFN2O3 — CID 45176739

IUPAC2-(3-chloro-4-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3ccc(F)c(Cl)c3)C2)C1=O
InChIInChI=1S/C18H22ClFN2O3/c1-25-10-9-21-7-2-5-18(17(21)24)6-8-22(12-18)16(23)13-3-4-15(20)14(19)11-13/h3-4,11H,2,5-10,12H2,1H3
InChIKeyPSCTXSJJPNAHGC-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.58
Rot. Bonds4

About 2-(3-chloro-4-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(3-chloro-4-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45176739) has the molecular formula C18H22ClFN2O3 and a molecular weight of 368.84 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45176739
Molecular FormulaC18H22ClFN2O3
Molecular Weight368.84 g/mol
Exact Mass368.13
IUPAC Name2-(3-chloro-4-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(C(=O)c3ccc(F)c(Cl)c3)C2)C1=O
InChIInChI=1S/C18H22ClFN2O3/c1-25-10-9-21-7-2-5-18(17(21)24)6-8-22(12-18)16(23)13-3-4-15(20)14(19)11-13/h3-4,11H,2,5-10,12H2,1H3
InChIKeyPSCTXSJJPNAHGC-UHFFFAOYSA-N
XLogP2.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Chlorophenyl)[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]methanone
CID 3700490
1-(3-chlorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 49790433
1-(3-chloro-4-fluorobenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 49778766
Ethyl 1-(3-chloro-4-fluorobenzoyl)-3-methylpiperidine-3-carboxylate
CID 46942516
8-Benzoyl-2-[(3-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 168294710
3-chloro-N-[3-(morpholin-4-yl)propyl]benzamide
CID 2276461
1-[4-(2-Chloro-4-fluorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 45828524
N-[[4-(2-chlorobenzoyl)morpholin-2-yl]methyl]-3-fluoro-N-(2-methylpropyl)benzamide
CID 46059599
1-(3-chloro-4-fluorobenzoyl)-N-ethyl-3-methylpyrrolidine-3-carboxamide
CID 46942687
1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 46942708
1-(2-chloro-4-fluorobenzoyl)-N-(2-methoxyethyl)-3-methylpiperidine-3-carboxamide
CID 46943155
1-(2-chloro-4-fluorobenzoyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46948202

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(3-chloro-4-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45176739) is 2-(3-chloro-4-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(3-chloro-4-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(3-chloro-4-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(C(=O)c3ccc(F)c(Cl)c3)C2)C1=O.
What is the InChIKey of 2-(3-chloro-4-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PSCTXSJJPNAHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN2O3/c1-25-10-9-21-7-2-5-18(17(21)24)6-8-22(12-18)16(23)13-3-4-15(20)14(19)11-13/h3-4,11H,2,5-10,12H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(3-chloro-4-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 368.84 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45176739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).