2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

C24H18ClF2NO5 — CID 163606362

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CC(CC(=O)c3cc(=O)c4ccc(F)cc4o3)(C1)C2
InChIInChI=1S/C24H18ClF2NO5/c25-16-4-2-14(6-17(16)27)32-9-22(31)28-24-10-23(11-24,12-24)8-19(30)21-7-18(29)15-3-1-13(26)5-20(15)33-21/h1-7H,8-12H2,(H,28,31)
InChIKeyHCDLYKBMDDMLFF-UHFFFAOYSA-N
MW473.86 g/mol
LogP4.42
Rot. Bonds7

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 163606362) has the molecular formula C24H18ClF2NO5 and a molecular weight of 473.86 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID163606362
Molecular FormulaC24H18ClF2NO5
Molecular Weight473.86 g/mol
Exact Mass473.08
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CC(CC(=O)c3cc(=O)c4ccc(F)cc4o3)(C1)C2
InChIInChI=1S/C24H18ClF2NO5/c25-16-4-2-14(6-17(16)27)32-9-22(31)28-24-10-23(11-24,12-24)8-19(30)21-7-18(29)15-3-1-13(26)5-20(15)33-21/h1-7H,8-12H2,(H,28,31)
InChIKeyHCDLYKBMDDMLFF-UHFFFAOYSA-N
XLogP4.42
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.86
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-fluoro-2-methoxyphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 161385459
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-methyl-4-oxochromene-2-carboxamide
CID 155256785
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-(5-methylpyrimidin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 157137589
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 158290245
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-(2-ethyl-1,3-thiazol-5-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159901074
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(6-methylpyrazin-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 159629571
2-(4-chloro-3-fluorophenoxy)-N-[3-[3-(4-fluorophenyl)-3-(2-hydroxyethoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 161331462
benzyl N-[3-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-oxopropyl]carbamate
CID 157273665

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 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) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NC12CC(CC(=O)c3cc(=O)c4ccc(F)cc4o3)(C1)C2.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is HCDLYKBMDDMLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF2NO5/c25-16-4-2-14(6-17(16)27)32-9-22(31)28-24-10-23(11-24,12-24)8-19(30)21-7-18(29)15-3-1-13(26)5-20(15)33-21/h1-7H,8-12H2,(H,28,31).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 473.86 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(7-fluoro-4-oxochromen-2-yl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 163606362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).