2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide

C23H30ClFN2O4 — CID 170085594

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide
SMILESCC1CC(OCC(=O)N2CCC3(CC2)CC(NC(=O)COc2ccc(Cl)c(F)c2)C3)C1
InChIInChI=1S/C23H30ClFN2O4/c1-15-8-18(9-15)31-14-22(29)27-6-4-23(5-7-27)11-16(12-23)26-21(28)13-30-17-2-3-19(24)20(25)10-17/h2-3,10,15-16,18H,4-9,11-14H2,1H3,(H,26,28)
InChIKeyFYIQJKIGCHTPES-UHFFFAOYSA-N
MW452.95 g/mol
LogP3.56
Rot. Bonds7

About 2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide (PubChem CID 170085594) has the molecular formula C23H30ClFN2O4 and a molecular weight of 452.95 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide
PubChem CID170085594
Molecular FormulaC23H30ClFN2O4
Molecular Weight452.95 g/mol
Exact Mass452.19
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide
SMILESCC1CC(OCC(=O)N2CCC3(CC2)CC(NC(=O)COc2ccc(Cl)c(F)c2)C3)C1
InChIInChI=1S/C23H30ClFN2O4/c1-15-8-18(9-15)31-14-22(29)27-6-4-23(5-7-27)11-16(12-23)26-21(28)13-30-17-2-3-19(24)20(25)10-17/h2-3,10,15-16,18H,4-9,11-14H2,1H3,(H,26,28)
InChIKeyFYIQJKIGCHTPES-UHFFFAOYSA-N
XLogP3.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[7-(2-cyclobutyloxyacetyl)-7-azaspiro[3.5]nonan-2-yl]acetamide
CID 139517484
2-(4-chloro-3-fluorophenoxy)-N-[2-(2-cyclobutyloxyacetyl)-2-azaspiro[3.3]heptan-6-yl]acetamide
CID 139517541
2-(4-chloro-3-fluorophenoxy)-N-[1-(2-cyclobutyloxyacetyl)piperidin-4-yl]acetamide
CID 139517542
2-(4-chloro-3-fluorophenoxy)-N-[1-[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]piperidin-4-yl]acetamide
CID 139517499
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide
CID 139517471
tert-butyl (3R)-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 175746278
2-(4-chloro-3-fluorophenoxy)-N-[(2R,5R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 154699055
2-(4-chloro-3-fluorophenoxy)-N-[(2S,5R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 142585911
2-(4-chloro-3-fluorophenoxy)-N-[(1R,2S,4R,5S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 155285831
(1S,5R)-6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 166681175
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-bicyclo[2.1.0]pentanyl]-2-cyclobutyloxyacetamide
CID 139517457
2-(4-chloro-3-fluorophenoxy)-N-[2-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-azaspiro[3.3]heptan-6-yl]acetamide
CID 169019072

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide (CID 170085594) is 2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide is CC1CC(OCC(=O)N2CCC3(CC2)CC(NC(=O)COc2ccc(Cl)c(F)c2)C3)C1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide?
The InChIKey is FYIQJKIGCHTPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClFN2O4/c1-15-8-18(9-15)31-14-22(29)27-6-4-23(5-7-27)11-16(12-23)26-21(28)13-30-17-2-3-19(24)20(25)10-17/h2-3,10,15-16,18H,4-9,11-14H2,1H3,(H,26,28).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide has a molecular weight of 452.95 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[7-[2-(3-methylcyclobutyl)oxyacetyl]-7-azaspiro[3.5]nonan-2-yl]acetamide is sourced from PubChem (CID 170085594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).