N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-[(3-chlorophenyl)methoxy]propanamide

C23H23Cl2FN2O4 — CID 138610717

IUPACN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-[(3-chlorophenyl)methoxy]propanamide
SMILESO=C(CCOCc1cccc(Cl)c1)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2
InChIInChI=1S/C23H23Cl2FN2O4/c24-16-3-1-2-15(8-16)10-31-7-6-20(29)27-22-12-23(13-22,14-22)28-21(30)11-32-17-4-5-18(25)19(26)9-17/h1-5,8-9H,6-7,10-14H2,(H,27,29)(H,28,30)
InChIKeyJUTZPFDIVDTZPR-UHFFFAOYSA-N
MW481.35 g/mol
LogP4.03
Rot. Bonds10

About N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-[(3-chlorophenyl)methoxy]propanamide

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-[(3-chlorophenyl)methoxy]propanamide (PubChem CID 138610717) has the molecular formula C23H23Cl2FN2O4 and a molecular weight of 481.35 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-[(3-chlorophenyl)methoxy]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-[(3-chlorophenyl)methoxy]propanamide
PubChem CID138610717
Molecular FormulaC23H23Cl2FN2O4
Molecular Weight481.35 g/mol
Exact Mass480.10
IUPAC NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-[(3-chlorophenyl)methoxy]propanamide
SMILESO=C(CCOCc1cccc(Cl)c1)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2
InChIInChI=1S/C23H23Cl2FN2O4/c24-16-3-1-2-15(8-16)10-31-7-6-20(29)27-22-12-23(13-22,14-22)28-21(30)11-32-17-4-5-18(25)19(26)9-17/h1-5,8-9H,6-7,10-14H2,(H,27,29)(H,28,30)
InChIKeyJUTZPFDIVDTZPR-UHFFFAOYSA-N
XLogP4.03
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.35
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-[2-(2-hydroxyethoxy)phenoxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 142585579
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
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-(3,4-dichlorophenyl)-2-oxoethyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 138610373
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]-3-(3-chlorophenoxy)propanamide
CID 155302750
benzyl 3-[2-[[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]amino]acetyl]azetidine-1-carboxylate
CID 150878149
2-(4-chloro-3-fluorophenoxy)-N-[3-[(3,4-difluorophenyl)methylsulfonylmethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 161080966
2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-chlorophenoxy)-5-hydroxy-2-oxopentyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 158714645
benzyl N-[3-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-oxopropyl]carbamate
CID 157273665
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-[3-(4-chloro-3-fluorophenoxy)-4-methoxy-2-oxobutyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 157445284

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-[(3-chlorophenyl)methoxy]propanamide?
The IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-[(3-chlorophenyl)methoxy]propanamide (CID 138610717) is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-[(3-chlorophenyl)methoxy]propanamide.
What is the SMILES notation for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-[(3-chlorophenyl)methoxy]propanamide?
The canonical SMILES for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-[(3-chlorophenyl)methoxy]propanamide is O=C(CCOCc1cccc(Cl)c1)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.
What is the InChIKey of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-[(3-chlorophenyl)methoxy]propanamide?
The InChIKey is JUTZPFDIVDTZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2FN2O4/c24-16-3-1-2-15(8-16)10-31-7-6-20(29)27-22-12-23(13-22,14-22)28-21(30)11-32-17-4-5-18(25)19(26)9-17/h1-5,8-9H,6-7,10-14H2,(H,27,29)(H,28,30).
What are the key properties of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-[(3-chlorophenyl)methoxy]propanamide?
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-3-[(3-chlorophenyl)methoxy]propanamide has a molecular weight of 481.35 g/mol, XLogP of 4.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 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]-3-[(3-chlorophenyl)methoxy]propanamide is sourced from PubChem (CID 138610717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).