N-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide

C25H24ClFN2O5 — CID 158999096

IUPACN-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CC3(C2)CN(C(=O)C2CC(=O)c4cc(Cl)ccc4O2)C3)cc1F
InChIInChI=1S/C25H24ClFN2O5/c1-14-2-4-17(7-19(14)27)33-11-23(31)28-16-9-25(10-16)12-29(13-25)24(32)22-8-20(30)18-6-15(26)3-5-21(18)34-22/h2-7,16,22H,8-13H2,1H3,(H,28,31)
InChIKeyFHUPNAOPHBMPOW-UHFFFAOYSA-N
MW486.93 g/mol
LogP3.31
Rot. Bonds5

About N-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide

N-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide (PubChem CID 158999096) has the molecular formula C25H24ClFN2O5 and a molecular weight of 486.93 g/mol. Its IUPAC name is N-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide
PubChem CID158999096
Molecular FormulaC25H24ClFN2O5
Molecular Weight486.93 g/mol
Exact Mass486.14
IUPAC NameN-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CC3(C2)CN(C(=O)C2CC(=O)c4cc(Cl)ccc4O2)C3)cc1F
InChIInChI=1S/C25H24ClFN2O5/c1-14-2-4-17(7-19(14)27)33-11-23(31)28-16-9-25(10-16)12-29(13-25)24(32)22-8-20(30)18-6-15(26)3-5-21(18)34-22/h2-7,16,22H,8-13H2,1H3,(H,28,31)
InChIKeyFHUPNAOPHBMPOW-UHFFFAOYSA-N
XLogP3.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.93
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide with MolForge

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Related Compounds

(2R)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155256713
2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide
CID 139517541
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6-methyl-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 163445519
N-[3-[2-[(2S,4R)-6-chloro-4-hydroxy-4-methyl-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(3-fluoro-4-methylphenoxy)acetamide
CID 163480039
2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide
CID 139517484
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide
CID 170085594
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108553040
(2S)-N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-6,7-difluoro-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155257050
(7S)-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-fluoro-2,7-dimethyl-6H-furo[2,3-f][1,3]benzodioxole-7-carboxamide;N-[3-[2-[(2S)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-2-(4-fluoro-3-methylphenoxy)acetamide
CID 163811239
N-[(3S)-4-[2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(3-fluoro-4-methylphenoxy)acetamide
CID 163841194

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide?
The IUPAC name of N-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide (CID 158999096) is N-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC2CC3(C2)CN(C(=O)C2CC(=O)c4cc(Cl)ccc4O2)C3)cc1F.
What is the InChIKey of N-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide?
The InChIKey is FHUPNAOPHBMPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN2O5/c1-14-2-4-17(7-19(14)27)33-11-23(31)28-16-9-25(10-16)12-29(13-25)24(32)22-8-20(30)18-6-15(26)3-5-21(18)34-22/h2-7,16,22H,8-13H2,1H3,(H,28,31).
What are the key properties of N-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide?
N-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide has a molecular weight of 486.93 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)-2-azaspiro[3.3]heptan-6-yl]-2-(3-fluoro-4-methylphenoxy)acetamide is sourced from PubChem (CID 158999096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).