N-[3-[3-(4-chloro-3-fluorophenoxy)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chlorophenoxy)acetamide

C23H23Cl2FN2O3 — CID 142490320

IUPACN-[3-[3-(4-chloro-3-fluorophenoxy)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC12CC(N3CCC(Oc4ccc(Cl)c(F)c4)C3)(C1)C2
InChIInChI=1S/C23H23Cl2FN2O3/c24-15-1-3-16(4-2-15)30-11-21(29)27-22-12-23(13-22,14-22)28-8-7-18(10-28)31-17-5-6-19(25)20(26)9-17/h1-6,9,18H,7-8,10-14H2,(H,27,29)
InChIKeyYRAHKUOQJSSTLO-UHFFFAOYSA-N
MW465.35 g/mol
LogP4.46
Rot. Bonds7

About N-[3-[3-(4-chloro-3-fluorophenoxy)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chlorophenoxy)acetamide

N-[3-[3-(4-chloro-3-fluorophenoxy)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 142490320) has the molecular formula C23H23Cl2FN2O3 and a molecular weight of 465.35 g/mol. Its IUPAC name is N-[3-[3-(4-chloro-3-fluorophenoxy)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[3-(4-chloro-3-fluorophenoxy)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chlorophenoxy)acetamide
PubChem CID142490320
Molecular FormulaC23H23Cl2FN2O3
Molecular Weight465.35 g/mol
Exact Mass464.11
IUPAC NameN-[3-[3-(4-chloro-3-fluorophenoxy)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)NC12CC(N3CCC(Oc4ccc(Cl)c(F)c4)C3)(C1)C2
InChIInChI=1S/C23H23Cl2FN2O3/c24-15-1-3-16(4-2-15)30-11-21(29)27-22-12-23(13-22,14-22)28-8-7-18(10-28)31-17-5-6-19(25)20(26)9-17/h1-6,9,18H,7-8,10-14H2,(H,27,29)
InChIKeyYRAHKUOQJSSTLO-UHFFFAOYSA-N
XLogP4.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[3-(4-chloro-3-fluorophenoxy)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chlorophenoxy)acetamide 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

2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-4-(trifluoromethoxymethyl)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137491712
[3-[[2-(3,4-difluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]methyl N-(4-chloro-3-fluorophenyl)carbamate
CID 156635677
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-nitrophenoxy)acetamide
CID 138610698
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137491361
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-fluorothiolane-2-carboxamide
CID 142586245
2-(4-chloro-3-fluorophenoxy)-N-[3-(6,7-difluoro-4-oxo-1,2-dihydroquinazolin-3-yl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 154698793
2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(trifluoromethyl)-2H-pyridin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 151707399
2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-chlorophenoxy)-5-hydroxy-2-oxopentyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 158714645
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(3,5-difluorophenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159469496
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(1-methylpyrazol-3-yl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 138610679
2-(4-chloro-3-fluorophenoxy)-N-[3-[4-[3-(trifluoromethoxy)cyclobutyl]triazol-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 163279672

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-chloro-3-fluorophenoxy)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[3-[3-(4-chloro-3-fluorophenoxy)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chlorophenoxy)acetamide (CID 142490320) is N-[3-[3-(4-chloro-3-fluorophenoxy)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[3-[3-(4-chloro-3-fluorophenoxy)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[3-[3-(4-chloro-3-fluorophenoxy)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)NC12CC(N3CCC(Oc4ccc(Cl)c(F)c4)C3)(C1)C2.
What is the InChIKey of N-[3-[3-(4-chloro-3-fluorophenoxy)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is YRAHKUOQJSSTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2FN2O3/c24-15-1-3-16(4-2-15)30-11-21(29)27-22-12-23(13-22,14-22)28-8-7-18(10-28)31-17-5-6-19(25)20(26)9-17/h1-6,9,18H,7-8,10-14H2,(H,27,29).
What are the key properties of N-[3-[3-(4-chloro-3-fluorophenoxy)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chlorophenoxy)acetamide?
N-[3-[3-(4-chloro-3-fluorophenoxy)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 465.35 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-chloro-3-fluorophenoxy)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 142490320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).