2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(trifluoromethyl)-2H-pyridin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

C19H17ClF4N2O2 — CID 151707399

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(trifluoromethyl)-2H-pyridin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CC(N3C=C(C(F)(F)F)C=CC3)(C1)C2
InChIInChI=1S/C19H17ClF4N2O2/c20-14-4-3-13(6-15(14)21)28-8-16(27)25-17-9-18(10-17,11-17)26-5-1-2-12(7-26)19(22,23)24/h1-4,6-7H,5,8-11H2,(H,25,27)
InChIKeyRFVZPCKCEVAYEO-UHFFFAOYSA-N
MW416.80 g/mol
LogP3.97
Rot. Bonds5

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(trifluoromethyl)-2H-pyridin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(trifluoromethyl)-2H-pyridin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 151707399) has the molecular formula C19H17ClF4N2O2 and a molecular weight of 416.80 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(trifluoromethyl)-2H-pyridin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(trifluoromethyl)-2H-pyridin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID151707399
Molecular FormulaC19H17ClF4N2O2
Molecular Weight416.80 g/mol
Exact Mass416.09
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(trifluoromethyl)-2H-pyridin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC12CC(N3C=C(C(F)(F)F)C=CC3)(C1)C2
InChIInChI=1S/C19H17ClF4N2O2/c20-14-4-3-13(6-15(14)21)28-8-16(27)25-17-9-18(10-17,11-17)26-5-1-2-12(7-26)19(22,23)24/h1-4,6-7H,5,8-11H2,(H,25,27)
InChIKeyRFVZPCKCEVAYEO-UHFFFAOYSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.80
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[2-oxo-4-(trifluoromethoxymethyl)pyrrolidin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137491712
tert-butyl-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 155285835
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-(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-[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
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-(2,5-dimethylpyrazol-3-yl)oxyacetyl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 138610575
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-(2-methylsulfonylphenyl)-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 157344404
N-[3-[3-(4-chloro-3-fluorophenoxy)-2-oxopropyl]-1-bicyclo[1.1.1]pentanyl]-2-[3-(trifluoromethoxy)phenoxy]acetamide
CID 158128750

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(trifluoromethyl)-2H-pyridin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(trifluoromethyl)-2H-pyridin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 151707399) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(trifluoromethyl)-2H-pyridin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(trifluoromethyl)-2H-pyridin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(trifluoromethyl)-2H-pyridin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is O=C(COc1ccc(Cl)c(F)c1)NC12CC(N3C=C(C(F)(F)F)C=CC3)(C1)C2.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(trifluoromethyl)-2H-pyridin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is RFVZPCKCEVAYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF4N2O2/c20-14-4-3-13(6-15(14)21)28-8-16(27)25-17-9-18(10-17,11-17)26-5-1-2-12(7-26)19(22,23)24/h1-4,6-7H,5,8-11H2,(H,25,27).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(trifluoromethyl)-2H-pyridin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(trifluoromethyl)-2H-pyridin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 416.80 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[5-(trifluoromethyl)-2H-pyridin-1-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 151707399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).