N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,5-difluorophenyl)acetamide

C21H18ClF3N2O3 — CID 138632452

IUPACN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,5-difluorophenyl)acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)Cc3cc(F)cc(F)c3)(C1)C2
InChIInChI=1S/C21H18ClF3N2O3/c22-16-2-1-15(7-17(16)25)30-8-19(29)27-21-9-20(10-21,11-21)26-18(28)5-12-3-13(23)6-14(24)4-12/h1-4,6-7H,5,8-11H2,(H,26,28)(H,27,29)
InChIKeyATVJJRDLRSEGNW-UHFFFAOYSA-N
MW438.83 g/mol
LogP3.29
Rot. Bonds7

About N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,5-difluorophenyl)acetamide

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,5-difluorophenyl)acetamide (PubChem CID 138632452) has the molecular formula C21H18ClF3N2O3 and a molecular weight of 438.83 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,5-difluorophenyl)acetamide
PubChem CID138632452
Molecular FormulaC21H18ClF3N2O3
Molecular Weight438.83 g/mol
Exact Mass438.10
IUPAC NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,5-difluorophenyl)acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)Cc3cc(F)cc(F)c3)(C1)C2
InChIInChI=1S/C21H18ClF3N2O3/c22-16-2-1-15(7-17(16)25)30-8-19(29)27-21-9-20(10-21,11-21)26-18(28)5-12-3-13(23)6-14(24)4-12/h1-4,6-7H,5,8-11H2,(H,26,28)(H,27,29)
InChIKeyATVJJRDLRSEGNW-UHFFFAOYSA-N
XLogP3.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.83
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,5-difluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,5-difluorophenyl)acetamide?
The IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,5-difluorophenyl)acetamide (CID 138632452) is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,5-difluorophenyl)acetamide?
The canonical SMILES for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,5-difluorophenyl)acetamide is O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)Cc3cc(F)cc(F)c3)(C1)C2.
What is the InChIKey of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,5-difluorophenyl)acetamide?
The InChIKey is ATVJJRDLRSEGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N2O3/c22-16-2-1-15(7-17(16)25)30-8-19(29)27-21-9-20(10-21,11-21)26-18(28)5-12-3-13(23)6-14(24)4-12/h1-4,6-7H,5,8-11H2,(H,26,28)(H,27,29).
What are the key properties of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,5-difluorophenyl)acetamide?
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,5-difluorophenyl)acetamide has a molecular weight of 438.83 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 138632452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).