(5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C18H22ClFN2O3 — CID 25299094

IUPAC(5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@@]2(CCN(C(=O)c3ccc(Cl)c(F)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)13-3-4-14(19)15(20)11-13/h3-4,11H,2,5-10,12H2,1H3/t18-/m0/s1
InChIKeyGWVUFHPXIPHBEC-SFHVURJKSA-N
MW368.84 g/mol
LogP2.58
Rot. Bonds4

About (5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 25299094) has the molecular formula C18H22ClFN2O3 and a molecular weight of 368.84 g/mol. Its IUPAC name is (5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID25299094
Molecular FormulaC18H22ClFN2O3
Molecular Weight368.84 g/mol
Exact Mass368.13
IUPAC Name(5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@@]2(CCN(C(=O)c3ccc(Cl)c(F)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)13-3-4-14(19)15(20)11-13/h3-4,11H,2,5-10,12H2,1H3/t18-/m0/s1
InChIKeyGWVUFHPXIPHBEC-SFHVURJKSA-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

Analyze (5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one 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

(5S)-2-(2H-benzotriazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97116173
7-(2-methoxyethyl)-2-(1-methyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72921168
7-(2-chloro-5-fluorobenzoyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643787
(5R)-2-(3-chlorothiophene-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42119648
7-(4-chloro-2-fluorobenzoyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642055
(5R)-2-(4-chloro-1-methylpyrrole-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127055
2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175643015
2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155855059
2-(2-methoxyethyl)-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896660
8-(3-chloro-4-fluorobenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72913831
2-(3,6-dimethyl-1-benzofuran-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56898957
(5S)-2-(3,6-dimethyl-1-benzofuran-2-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95724205

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 25299094) is (5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCC[C@@]2(CCN(C(=O)c3ccc(Cl)c(F)c3)C2)C1=O.
What is the InChIKey of (5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is GWVUFHPXIPHBEC-SFHVURJKSA-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)13-3-4-14(19)15(20)11-13/h3-4,11H,2,5-10,12H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(4-chloro-3-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 (5S)-2-(4-chloro-3-fluorobenzoyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 25299094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).