2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-fluorophenyl)-3-(2-hydroxyethoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]acetamide

C24H24ClF2NO5 — CID 161331462

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-fluorophenyl)-3-(2-hydroxyethoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CC(CC(=O)C(OCCO)c3ccc(F)cc3)(C1)C2
InChIInChI=1S/C24H24ClF2NO5/c25-18-6-5-17(9-19(18)27)33-11-21(31)28-24-12-23(13-24,14-24)10-20(30)22(32-8-7-29)15-1-3-16(26)4-2-15/h1-6,9,22,29H,7-8,10-14H2,(H,28,31)
InChIKeyVLLXKXQWCYPCAM-UHFFFAOYSA-N
MW479.91 g/mol
LogP3.75
Rot. Bonds11

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-fluorophenyl)-3-(2-hydroxyethoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-fluorophenyl)-3-(2-hydroxyethoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 161331462) has the molecular formula C24H24ClF2NO5 and a molecular weight of 479.91 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-fluorophenyl)-3-(2-hydroxyethoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-fluorophenyl)-3-(2-hydroxyethoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID161331462
Molecular FormulaC24H24ClF2NO5
Molecular Weight479.91 g/mol
Exact Mass479.13
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-fluorophenyl)-3-(2-hydroxyethoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CC(CC(=O)C(OCCO)c3ccc(F)cc3)(C1)C2
InChIInChI=1S/C24H24ClF2NO5/c25-18-6-5-17(9-19(18)27)33-11-21(31)28-24-12-23(13-24,14-24)10-20(30)22(32-8-7-29)15-1-3-16(26)4-2-15/h1-6,9,22,29H,7-8,10-14H2,(H,28,31)
InChIKeyVLLXKXQWCYPCAM-UHFFFAOYSA-N
XLogP3.75
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.91
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[3-(4-chlorophenoxy)-5-hydroxy-2-oxopentyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 158714645
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
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-[2-(2-hydroxyethoxy)phenoxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 142585579
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methylsulfonylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 157344404
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(4-fluoro-2-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 161385459
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 157137589
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(1-methyl-6-oxo-3-pyridinyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 160807200
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 163606362
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 162299196
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-nitrophenoxy)acetamide
CID 138610698

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-fluorophenyl)-3-(2-hydroxyethoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-fluorophenyl)-3-(2-hydroxyethoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 161331462) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-fluorophenyl)-3-(2-hydroxyethoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-fluorophenyl)-3-(2-hydroxyethoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-fluorophenyl)-3-(2-hydroxyethoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NC12CC(CC(=O)C(OCCO)c3ccc(F)cc3)(C1)C2.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-fluorophenyl)-3-(2-hydroxyethoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is VLLXKXQWCYPCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF2NO5/c25-18-6-5-17(9-19(18)27)33-11-21(31)28-24-12-23(13-24,14-24)10-20(30)22(32-8-7-29)15-1-3-16(26)4-2-15/h1-6,9,22,29H,7-8,10-14H2,(H,28,31).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-fluorophenyl)-3-(2-hydroxyethoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-fluorophenyl)-3-(2-hydroxyethoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 479.91 g/mol, XLogP of 3.75, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-fluorophenyl)-3-(2-hydroxyethoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 161331462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).