2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide

C22H20ClF3N2O4 — CID 142585588

IUPAC2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)NC1CC2(NC(=O)COc3ccc(F)c(F)c3)CC1C2
InChIInChI=1S/C22H20ClF3N2O4/c23-15-5-13(1-3-16(15)24)31-10-20(29)27-19-9-22(7-12(19)8-22)28-21(30)11-32-14-2-4-17(25)18(26)6-14/h1-6,12,19H,7-11H2,(H,27,29)(H,28,30)
InChIKeyGZQFAOFHWFYLJZ-UHFFFAOYSA-N
MW468.86 g/mol
LogP3.37
Rot. Bonds8

About 2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide

2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide (PubChem CID 142585588) has the molecular formula C22H20ClF3N2O4 and a molecular weight of 468.86 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide
PubChem CID142585588
Molecular FormulaC22H20ClF3N2O4
Molecular Weight468.86 g/mol
Exact Mass468.11
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)NC1CC2(NC(=O)COc3ccc(F)c(F)c3)CC1C2
InChIInChI=1S/C22H20ClF3N2O4/c23-15-5-13(1-3-16(15)24)31-10-20(29)27-19-9-22(7-12(19)8-22)28-21(30)11-32-14-2-4-17(25)18(26)6-14/h1-6,12,19H,7-11H2,(H,27,29)(H,28,30)
InChIKeyGZQFAOFHWFYLJZ-UHFFFAOYSA-N
XLogP3.37
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.86
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]-2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetamide
CID 142585515
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-6-methoxypyridine-3-carboxamide
CID 138627058
7-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-6-fluoro-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 155260084
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]-5-phenylpiperidine-2-carboxamide
CID 138626630
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)ethylamino]-1-bicyclo[2.1.1]hexanyl]acetamide
CID 155303217
6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]-4-(2,2-difluoro-1-methylcyclopropanecarbonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 155260173
2-[[(2S)-4-[[2-(4-chlorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]amino]-N-methylacetamide
CID 137399645
2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11914731
N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]-4-(3,3-difluoroazetidin-1-yl)piperidine-2-carboxamide
CID 138626746
[(3S)-3-[[2-(3,4-difluorophenoxy)acetyl]amino]-1-bicyclo[2.1.0]pentanyl]methyl N-(4-chloro-3-fluorophenyl)carbamate
CID 146299453
N-[(3S)-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.1.1]hexanyl]-4-(3-hydroxy-3-methylbutyl)piperidine-2-carboxamide
CID 138626778
2-(3-chloro-4-fluorophenoxy)-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]acetamide
CID 122564214

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide (CID 142585588) is 2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide is O=C(COc1ccc(F)c(Cl)c1)NC1CC2(NC(=O)COc3ccc(F)c(F)c3)CC1C2.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide?
The InChIKey is GZQFAOFHWFYLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N2O4/c23-15-5-13(1-3-16(15)24)31-10-20(29)27-19-9-22(7-12(19)8-22)28-21(30)11-32-14-2-4-17(25)18(26)6-14/h1-6,12,19H,7-11H2,(H,27,29)(H,28,30).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide?
2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide has a molecular weight of 468.86 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-[4-[[2-(3,4-difluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]acetamide is sourced from PubChem (CID 142585588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).