2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide

C22H22ClFN4O4 — CID 155302879

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCC1(NC(=O)COc2ccc3cn[nH]c3c2)CCC1
InChIInChI=1S/C22H22ClFN4O4/c23-17-5-4-15(8-18(17)24)31-11-20(29)25-13-22(6-1-7-22)27-21(30)12-32-16-3-2-14-10-26-28-19(14)9-16/h2-5,8-10H,1,6-7,11-13H2,(H,25,29)(H,26,28)(H,27,30)
InChIKeyRZBPHLIJZSCRHC-UHFFFAOYSA-N
MW460.89 g/mol
LogP2.97
Rot. Bonds9

About 2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide (PubChem CID 155302879) has the molecular formula C22H22ClFN4O4 and a molecular weight of 460.89 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide
PubChem CID155302879
Molecular FormulaC22H22ClFN4O4
Molecular Weight460.89 g/mol
Exact Mass460.13
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NCC1(NC(=O)COc2ccc3cn[nH]c3c2)CCC1
InChIInChI=1S/C22H22ClFN4O4/c23-17-5-4-15(8-18(17)24)31-11-20(29)25-13-22(6-1-7-22)27-21(30)12-32-16-3-2-14-10-26-28-19(14)9-16/h2-5,8-10H,1,6-7,11-13H2,(H,25,29)(H,26,28)(H,27,30)
InChIKeyRZBPHLIJZSCRHC-UHFFFAOYSA-N
XLogP2.97
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.89
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide with MolForge

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Related Compounds

N-[4-[[2-[(4-fluoro-1H-indazol-6-yl)oxy]acetyl]amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]-2-(1H-indazol-6-yloxy)acetamide
CID 155092876
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-[(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-[(1R,2S,4R,5S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 155285831
2-[1-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 119217713
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
2-[1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]cyclobutyl]acetic acid
CID 79844652
N-[3-[(4-chloro-3-fluorophenoxy)methyl]-1-ethyl-3-methylcyclobutyl]-2-[(6-chloro-5-fluoro-3-pyridinyl)oxy]acetamide;formamide
CID 142585860
2-(4-chloro-3-fluorophenoxy)-N-ethenylacetamide
CID 155716981
2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17165456
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159629571
N-[1-[(2-chloroacetyl)amino]-3-oxo-2-azabicyclo[2.2.2]octan-4-yl]-2-(4-chloro-3-fluorophenoxy)acetamide
CID 151818251

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide (CID 155302879) is 2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NCC1(NC(=O)COc2ccc3cn[nH]c3c2)CCC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide?
The InChIKey is RZBPHLIJZSCRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O4/c23-17-5-4-15(8-18(17)24)31-11-20(29)25-13-22(6-1-7-22)27-21(30)12-32-16-3-2-14-10-26-28-19(14)9-16/h2-5,8-10H,1,6-7,11-13H2,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide has a molecular weight of 460.89 g/mol, XLogP of 2.97, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[[1-[[2-(1H-indazol-6-yloxy)acetyl]amino]cyclobutyl]methyl]acetamide is sourced from PubChem (CID 155302879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).